2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine

C16H23BrN2 — CID 63632717

IUPAC2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCN(CC1CC1)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H23BrN2/c1-19(10-12-2-3-12)16(11-18)7-6-13-8-15(17)5-4-14(13)9-16/h4-5,8,12H,2-3,6-7,9-11,18H2,1H3
InChIKeyPCPIGJUJOFATAK-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.98
Rot. Bonds4

About 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63632717) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63632717
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCN(CC1CC1)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H23BrN2/c1-19(10-12-2-3-12)16(11-18)7-6-13-8-15(17)5-4-14(13)9-16/h4-5,8,12H,2-3,6-7,9-11,18H2,1H3
InChIKeyPCPIGJUJOFATAK-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63631153
2-(aminomethyl)-6-bromo-N-ethyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63632200
2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 115510716
2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79481522
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,3-dihydroinden-2-amine
CID 63957179
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 63630990
[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 63630602
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (CID 63632717) is 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is CN(CC1CC1)C1(CN)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is PCPIGJUJOFATAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-19(10-12-2-3-12)16(11-18)7-6-13-8-15(17)5-4-14(13)9-16/h4-5,8,12H,2-3,6-7,9-11,18H2,1H3.
What are the key properties of 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 323.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63632717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).