N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine

C23H28N2 — CID 70449343

IUPACN-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
SMILESNCCCc1ccccc1.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C9H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;10-8-4-7-9-5-2-1-3-6-9/h1-10,15H,11-12H2;1-3,5-6H,4,7-8,10H2
InChIKeyAWSBFTDKIZGOHP-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.55
Rot. Bonds7

About N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine

N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine (PubChem CID 70449343) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
PubChem CID70449343
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC NameN-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
SMILESNCCCc1ccccc1.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C9H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;10-8-4-7-9-5-2-1-3-6-9/h1-10,15H,11-12H2;1-3,5-6H,4,7-8,10H2
InChIKeyAWSBFTDKIZGOHP-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;3-phenylpropan-1-amine
CID 174865683
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
N-benzyl-1-phenylmethanamine;butan-1-amine
CID 174958540
3-phenylpropan-1-amine;propane
CID 70273467
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine?
The IUPAC name of N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine (CID 70449343) is N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine?
The canonical SMILES for N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine is NCCCc1ccccc1.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine?
The InChIKey is AWSBFTDKIZGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C9H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;10-8-4-7-9-5-2-1-3-6-9/h1-10,15H,11-12H2;1-3,5-6H,4,7-8,10H2.
What are the key properties of N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine?
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine has a molecular weight of 332.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine is sourced from PubChem (CID 70449343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).