N-benzyl-4-(3-methylphenyl)butan-2-amine

C18H23N — CID 61170329

IUPACN-benzyl-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-15-7-6-10-17(13-15)12-11-16(2)19-14-18-8-4-3-5-9-18/h3-10,13,16,19H,11-12,14H2,1-2H3
InChIKeyUXHIMKTVOWIBLN-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.11
Rot. Bonds6

About N-benzyl-4-(3-methylphenyl)butan-2-amine

N-benzyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 61170329) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-benzyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(3-methylphenyl)butan-2-amine
PubChem CID61170329
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-benzyl-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-15-7-6-10-17(13-15)12-11-16(2)19-14-18-8-4-3-5-9-18/h3-10,13,16,19H,11-12,14H2,1-2H3
InChIKeyUXHIMKTVOWIBLN-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-benzyl-4-(3-methylphenyl)butan-2-amine (CID 61170329) is N-benzyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-benzyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-benzyl-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is UXHIMKTVOWIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-15-7-6-10-17(13-15)12-11-16(2)19-14-18-8-4-3-5-9-18/h3-10,13,16,19H,11-12,14H2,1-2H3.
What are the key properties of N-benzyl-4-(3-methylphenyl)butan-2-amine?
N-benzyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 61170329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).