benzene;3-phenylpropan-1-amine

C15H19N — CID 174865683

IUPACbenzene;3-phenylpropan-1-amine
SMILESNCCCc1ccccc1.c1ccccc1
InChIInChI=1S/C9H13N.C6H6/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-5-3-1/h1-3,5-6H,4,7-8,10H2;1-6H
InChIKeyOGNURSVIJVCOLZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.26
Rot. Bonds3

About benzene;3-phenylpropan-1-amine

benzene;3-phenylpropan-1-amine (PubChem CID 174865683) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is benzene;3-phenylpropan-1-amine.

Molecular Properties

Compound Namebenzene;3-phenylpropan-1-amine
PubChem CID174865683
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Namebenzene;3-phenylpropan-1-amine
SMILESNCCCc1ccccc1.c1ccccc1
InChIInChI=1S/C9H13N.C6H6/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-5-3-1/h1-3,5-6H,4,7-8,10H2;1-6H
InChIKeyOGNURSVIJVCOLZ-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenylpropan-1-amine;propane
CID 70273467
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-phenylbutylbenzene
CID 141301927
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
3-(3-phenylphenyl)propan-1-amine
CID 68886504
butan-1-amine;dodecylbenzene
CID 158824240
7-phenylheptane-1,4-diamine
CID 174860311
azane;2-phenylethanamine
CID 23506485
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of benzene;3-phenylpropan-1-amine?
The IUPAC name of benzene;3-phenylpropan-1-amine (CID 174865683) is benzene;3-phenylpropan-1-amine.
What is the SMILES notation for benzene;3-phenylpropan-1-amine?
The canonical SMILES for benzene;3-phenylpropan-1-amine is NCCCc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;3-phenylpropan-1-amine?
The InChIKey is OGNURSVIJVCOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H6/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-5-3-1/h1-3,5-6H,4,7-8,10H2;1-6H.
What are the key properties of benzene;3-phenylpropan-1-amine?
benzene;3-phenylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-phenylpropan-1-amine is sourced from PubChem (CID 174865683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).