N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine

C15H19BrN2 — CID 102771669

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccc(CN)cc1Br)CC1CC1
InChIInChI=1S/C15H19BrN2/c1-2-7-18(10-12-3-4-12)11-14-6-5-13(9-17)8-15(14)16/h1,5-6,8,12H,3-4,7,9-11,17H2
InChIKeyDHDBGLDREWKCCL-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.75
Rot. Bonds6

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine (PubChem CID 102771669) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine
PubChem CID102771669
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccc(CN)cc1Br)CC1CC1
InChIInChI=1S/C15H19BrN2/c1-2-7-18(10-12-3-4-12)11-14-6-5-13(9-17)8-15(14)16/h1,5-6,8,12H,3-4,7,9-11,17H2
InChIKeyDHDBGLDREWKCCL-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-Bromo-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 460347
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
N-[(3-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 24835706
Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride
CID 13429
n-(2-Bromobenzyl)-n-methylprop-2-yn-1-amine
CID 13430
N-[(4-bromophenyl)methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine
CID 155521864
N-(3-bromobenzyl)-N-isobutylamine
CID 964815
[(2-Bromophenyl)methyl](2-methylpropyl)amine
CID 28428646
m-Bromo-N-methyl-N-2-propynylbenzylamine hydrochloride
CID 24835705
N-[(5-bromo-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 28419216
N-[(3-bromo-4-fluorophenyl)methyl]prop-2-yn-1-amine
CID 28419649
[(5-Bromo-2-fluorophenyl)methyl](cyclopropylmethyl)amine
CID 28430422

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine (CID 102771669) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine is C#CCN(Cc1ccc(CN)cc1Br)CC1CC1.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine?
The InChIKey is DHDBGLDREWKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-2-7-18(10-12-3-4-12)11-14-6-5-13(9-17)8-15(14)16/h1,5-6,8,12H,3-4,7,9-11,17H2.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine has a molecular weight of 307.23 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 102771669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).