N-benzyl-1-phenylmethanamine;butan-1-amine

C18H26N2 — CID 174958540

IUPACN-benzyl-1-phenylmethanamine;butan-1-amine
SMILESCCCCN.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C4H11N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-3-4-5/h1-10,15H,11-12H2;2-5H2,1H3
InChIKeyHFQBUMYRIMRFCJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.72
Rot. Bonds6

About N-benzyl-1-phenylmethanamine;butan-1-amine

N-benzyl-1-phenylmethanamine;butan-1-amine (PubChem CID 174958540) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;butan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;butan-1-amine
PubChem CID174958540
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-benzyl-1-phenylmethanamine;butan-1-amine
SMILESCCCCN.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C4H11N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-3-4-5/h1-10,15H,11-12H2;2-5H2,1H3
InChIKeyHFQBUMYRIMRFCJ-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
azane;N-benzylbutan-1-amine
CID 175388745
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-benzylheptane-1,7-diamine
CID 61150072
butan-1-amine;dodecylbenzene
CID 158824240
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
butan-1-amine;toluene;hydrate
CID 174894398

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;butan-1-amine?
The IUPAC name of N-benzyl-1-phenylmethanamine;butan-1-amine (CID 174958540) is N-benzyl-1-phenylmethanamine;butan-1-amine.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;butan-1-amine?
The canonical SMILES for N-benzyl-1-phenylmethanamine;butan-1-amine is CCCCN.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;butan-1-amine?
The InChIKey is HFQBUMYRIMRFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C4H11N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-3-4-5/h1-10,15H,11-12H2;2-5H2,1H3.
What are the key properties of N-benzyl-1-phenylmethanamine;butan-1-amine?
N-benzyl-1-phenylmethanamine;butan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;butan-1-amine is sourced from PubChem (CID 174958540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).