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

C18H29BrN2 — CID 79481522

IUPAC2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCC(C)CN(CC)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H29BrN2/c1-4-14(3)12-21(5-2)18(13-20)9-8-15-10-17(19)7-6-16(15)11-18/h6-7,10,14H,4-5,8-9,11-13,20H2,1-3H3
InChIKeyFKWBIEQKRPVYKV-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.00
Rot. Bonds6

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

2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 79481522) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID79481522
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCC(C)CN(CC)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H29BrN2/c1-4-14(3)12-21(5-2)18(13-20)9-8-15-10-17(19)7-6-16(15)11-18/h6-7,10,14H,4-5,8-9,11-13,20H2,1-3H3
InChIKeyFKWBIEQKRPVYKV-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6-bromo-N-ethyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63632200
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine
CID 79477209
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63471954
2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63632717
6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65145586
2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63631153
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 115999151
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79476725
2-[2-(1-aminoethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 66099185

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 79481522) is 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine is CCC(C)CN(CC)C1(CN)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is FKWBIEQKRPVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-14(3)12-21(5-2)18(13-20)9-8-15-10-17(19)7-6-16(15)11-18/h6-7,10,14H,4-5,8-9,11-13,20H2,1-3H3.
What are the key properties of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 353.35 g/mol, XLogP of 4.00, 6 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-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 79481522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).