1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine

C18H29BrN2 — CID 63633029

IUPAC1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H29BrN2/c1-3-20-18(16-9-6-10-17(19)13-16)11-12-21(2)14-15-7-4-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeyZJKZFFXWXFXTMP-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.61
Rot. Bonds8

About 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine

1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 63633029) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
PubChem CID63633029
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H29BrN2/c1-3-20-18(16-9-6-10-17(19)13-16)11-12-21(2)14-15-7-4-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeyZJKZFFXWXFXTMP-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63494741
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine (CID 63633029) is 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine is CCNC(CCN(C)CC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is ZJKZFFXWXFXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-3-20-18(16-9-6-10-17(19)13-16)11-12-21(2)14-15-7-4-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 353.35 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63633029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).