1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C16H27BrN2 — CID 43110730

IUPAC1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1ccccc1Br)N(C)C
InChIInChI=1S/C16H27BrN2/c1-5-13(6-2)16(19(3)4)12-18-11-14-9-7-8-10-15(14)17/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKeyNYQNTOWUGOCOFP-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.91
Rot. Bonds8

About 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43110730) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43110730
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1ccccc1Br)N(C)C
InChIInChI=1S/C16H27BrN2/c1-5-13(6-2)16(19(3)4)12-18-11-14-9-7-8-10-15(14)17/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKeyNYQNTOWUGOCOFP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
CID 43207997
1-[(2-bromophenyl)methylamino]butan-2-ol
CID 61401914
1-N-[(3-bromofuran-2-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 103675307
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65023948
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine
CID 63311575
1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43432080
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451692
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62435019

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 43110730) is 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNCc1ccccc1Br)N(C)C.
What is the InChIKey of 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is NYQNTOWUGOCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-13(6-2)16(19(3)4)12-18-11-14-9-7-8-10-15(14)17/h7-10,13,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 327.31 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43110730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).