1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine

C16H24BrN — CID 66047440

IUPAC1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1cccc(Br)c1)NCCC
InChIInChI=1S/C16H24BrN/c1-4-9-18-16(10-13(3)5-2)12-14-7-6-8-15(17)11-14/h6-8,11,16,18H,3-5,9-10,12H2,1-2H3
InChIKeyXYXNFAXAUXQEQZ-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.72
Rot. Bonds8

About 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine

1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine (PubChem CID 66047440) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
PubChem CID66047440
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1cccc(Br)c1)NCCC
InChIInChI=1S/C16H24BrN/c1-4-9-18-16(10-13(3)5-2)12-14-7-6-8-15(17)11-14/h6-8,11,16,18H,3-5,9-10,12H2,1-2H3
InChIKeyXYXNFAXAUXQEQZ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(3-bromophenyl)-4-methylidenehexan-2-ol
CID 66045073
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214582
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine (CID 66047440) is 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine is C=C(CC)CC(Cc1cccc(Br)c1)NCCC.
What is the InChIKey of 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine?
The InChIKey is XYXNFAXAUXQEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-4-9-18-16(10-13(3)5-2)12-14-7-6-8-15(17)11-14/h6-8,11,16,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine?
1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine is sourced from PubChem (CID 66047440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).