N-benzylprop-2-en-1-amine;2-phenylethanamine

C18H24N2 — CID 70268529

IUPACN-benzylprop-2-en-1-amine;2-phenylethanamine
SMILESC=CCNCc1ccccc1.NCCc1ccccc1
InChIInChI=1S/C10H13N.C8H11N/c1-2-8-11-9-10-6-4-3-5-7-10;9-7-6-8-4-2-1-3-5-8/h2-7,11H,1,8-9H2;1-5H,6-7,9H2
InChIKeyFUHZKQTXJNKIJD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.15
Rot. Bonds6

About N-benzylprop-2-en-1-amine;2-phenylethanamine

N-benzylprop-2-en-1-amine;2-phenylethanamine (PubChem CID 70268529) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-benzylprop-2-en-1-amine;2-phenylethanamine.

Molecular Properties

Compound NameN-benzylprop-2-en-1-amine;2-phenylethanamine
PubChem CID70268529
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-benzylprop-2-en-1-amine;2-phenylethanamine
SMILESC=CCNCc1ccccc1.NCCc1ccccc1
InChIInChI=1S/C10H13N.C8H11N/c1-2-8-11-9-10-6-4-3-5-7-10;9-7-6-8-4-2-1-3-5-8/h2-7,11H,1,8-9H2;1-5H,6-7,9H2
InChIKeyFUHZKQTXJNKIJD-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-deuterioprop-2-en-1-amine
CID 16686204
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
azane;2-phenylethanamine
CID 23506485
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
formic acid;2-phenylethanamine
CID 174535099
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
2-(benzylamino)acetaldehyde
CID 2769654
N'-[[4-(2-aminoethyl)phenyl]methyl]methanediamine
CID 171539431
N'-benzylprop-1-ene-1,3-diamine
CID 70630128
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-benzylheptane-1,7-diamine
CID 61150072

Frequently Asked Questions

What is the IUPAC name of N-benzylprop-2-en-1-amine;2-phenylethanamine?
The IUPAC name of N-benzylprop-2-en-1-amine;2-phenylethanamine (CID 70268529) is N-benzylprop-2-en-1-amine;2-phenylethanamine.
What is the SMILES notation for N-benzylprop-2-en-1-amine;2-phenylethanamine?
The canonical SMILES for N-benzylprop-2-en-1-amine;2-phenylethanamine is C=CCNCc1ccccc1.NCCc1ccccc1.
What is the InChIKey of N-benzylprop-2-en-1-amine;2-phenylethanamine?
The InChIKey is FUHZKQTXJNKIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C8H11N/c1-2-8-11-9-10-6-4-3-5-7-10;9-7-6-8-4-2-1-3-5-8/h2-7,11H,1,8-9H2;1-5H,6-7,9H2.
What are the key properties of N-benzylprop-2-en-1-amine;2-phenylethanamine?
N-benzylprop-2-en-1-amine;2-phenylethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylprop-2-en-1-amine;2-phenylethanamine is sourced from PubChem (CID 70268529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).