1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine

C14H21BrN2 — CID 61416171

IUPAC1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)CC(C)(N)C1CC1
InChIInChI=1S/C14H21BrN2/c1-14(16,12-6-7-12)10-17(2)9-11-4-3-5-13(15)8-11/h3-5,8,12H,6-7,9-10,16H2,1-2H3
InChIKeyQGJOKQROVSSOPE-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.01
Rot. Bonds5

About 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine

1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine (PubChem CID 61416171) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
PubChem CID61416171
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)CC(C)(N)C1CC1
InChIInChI=1S/C14H21BrN2/c1-14(16,12-6-7-12)10-17(2)9-11-4-3-5-13(15)8-11/h3-5,8,12H,6-7,9-10,16H2,1-2H3
InChIKeyQGJOKQROVSSOPE-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487226
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200199
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
methyl 3-[(3-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619783
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine (CID 61416171) is 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine is CN(Cc1cccc(Br)c1)CC(C)(N)C1CC1.
What is the InChIKey of 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine?
The InChIKey is QGJOKQROVSSOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(16,12-6-7-12)10-17(2)9-11-4-3-5-13(15)8-11/h3-5,8,12H,6-7,9-10,16H2,1-2H3.
What are the key properties of 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine?
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 61416171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).