N-benzyl-2-phenylethanamine;butane-1,4-diamine

C19H29N3 — CID 23298616

IUPACN-benzyl-2-phenylethanamine;butane-1,4-diamine
SMILESNCCCCN.c1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C15H17N.C4H12N2/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;5-3-1-2-4-6/h1-10,16H,11-13H2;1-6H2
InChIKeyAQMOUKYSWCGWKR-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.70
Rot. Bonds8

About N-benzyl-2-phenylethanamine;butane-1,4-diamine

N-benzyl-2-phenylethanamine;butane-1,4-diamine (PubChem CID 23298616) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-benzyl-2-phenylethanamine;butane-1,4-diamine.

Molecular Properties

Compound NameN-benzyl-2-phenylethanamine;butane-1,4-diamine
PubChem CID23298616
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-benzyl-2-phenylethanamine;butane-1,4-diamine
SMILESNCCCCN.c1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C15H17N.C4H12N2/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;5-3-1-2-4-6/h1-10,16H,11-13H2;1-6H2
InChIKeyAQMOUKYSWCGWKR-UHFFFAOYSA-N
XLogP2.70
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N-benzyl-2-phenylethanamine;isothiocyanic acid
CID 87452788
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
13-phenyltridecan-1-amine
CID 19801439

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylethanamine;butane-1,4-diamine?
The IUPAC name of N-benzyl-2-phenylethanamine;butane-1,4-diamine (CID 23298616) is N-benzyl-2-phenylethanamine;butane-1,4-diamine.
What is the SMILES notation for N-benzyl-2-phenylethanamine;butane-1,4-diamine?
The canonical SMILES for N-benzyl-2-phenylethanamine;butane-1,4-diamine is NCCCCN.c1ccc(CCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-phenylethanamine;butane-1,4-diamine?
The InChIKey is AQMOUKYSWCGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C4H12N2/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;5-3-1-2-4-6/h1-10,16H,11-13H2;1-6H2.
What are the key properties of N-benzyl-2-phenylethanamine;butane-1,4-diamine?
N-benzyl-2-phenylethanamine;butane-1,4-diamine has a molecular weight of 299.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylethanamine;butane-1,4-diamine is sourced from PubChem (CID 23298616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).