N-benzyl-1-(4-propan-2-ylphenyl)ethanamine

C18H23N — CID 43177533

IUPACN-benzyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h4-12,14-15,19H,13H2,1-3H3
InChIKeyVTDYRTOEVKDUEH-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.66
Rot. Bonds5

About N-benzyl-1-(4-propan-2-ylphenyl)ethanamine

N-benzyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43177533) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-benzyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43177533
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-benzyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h4-12,14-15,19H,13H2,1-3H3
InChIKeyVTDYRTOEVKDUEH-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-benzyl-1-(4-propan-2-ylphenyl)ethanamine (CID 43177533) is N-benzyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is VTDYRTOEVKDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h4-12,14-15,19H,13H2,1-3H3.
What are the key properties of N-benzyl-1-(4-propan-2-ylphenyl)ethanamine?
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43177533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).