1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine

C14H18BrN — CID 115677263

IUPAC1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine
SMILESCC(NC1(c2cccc(Br)c2)CC1)C1CC1
InChIInChI=1S/C14H18BrN/c1-10(11-5-6-11)16-14(7-8-14)12-3-2-4-13(15)9-12/h2-4,9-11,16H,5-8H2,1H3
InChIKeyPAZUFVXITVREGW-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine

1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine (PubChem CID 115677263) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine
PubChem CID115677263
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine
SMILESCC(NC1(c2cccc(Br)c2)CC1)C1CC1
InChIInChI=1S/C14H18BrN/c1-10(11-5-6-11)16-14(7-8-14)12-3-2-4-13(15)9-12/h2-4,9-11,16H,5-8H2,1H3
InChIKeyPAZUFVXITVREGW-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
4-(3-bromophenyl)-N-methyloxan-4-amine
CID 83693917
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800393
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
4-(3-bromophenyl)-N-(3-methoxy-2-methylpropyl)oxan-4-amine
CID 86804392

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine (CID 115677263) is 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine is CC(NC1(c2cccc(Br)c2)CC1)C1CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine?
The InChIKey is PAZUFVXITVREGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-10(11-5-6-11)16-14(7-8-14)12-3-2-4-13(15)9-12/h2-4,9-11,16H,5-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine?
1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine has a molecular weight of 280.21 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine is sourced from PubChem (CID 115677263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).