N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine

C21H29NO — CID 175631821

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
SMILESCOc1ccc(CN(CCc2ccccc2)CCC(C)C)cc1
InChIInChI=1S/C21H29NO/c1-18(2)13-15-22(16-14-19-7-5-4-6-8-19)17-20-9-11-21(23-3)12-10-20/h4-12,18H,13-17H2,1-3H3
InChIKeyPNIDBIRFEQCXSD-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.79
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine

N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine (PubChem CID 175631821) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
PubChem CID175631821
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
SMILESCOc1ccc(CN(CCc2ccccc2)CCC(C)C)cc1
InChIInChI=1S/C21H29NO/c1-18(2)13-15-22(16-14-19-7-5-4-6-8-19)17-20-9-11-21(23-3)12-10-20/h4-12,18H,13-17H2,1-3H3
InChIKeyPNIDBIRFEQCXSD-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
(2S)-1-[(4-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93160644
3-[2-(4-methoxyphenyl)ethyl-(2-methylpropyl)amino]propanoic acid
CID 82328947
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
N-benzyl-N-chloro-1-(4-methoxyphenyl)ethanamine;ethane
CID 144529374
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine (CID 175631821) is N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine is COc1ccc(CN(CCc2ccccc2)CCC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine?
The InChIKey is PNIDBIRFEQCXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-18(2)13-15-22(16-14-19-7-5-4-6-8-19)17-20-9-11-21(23-3)12-10-20/h4-12,18H,13-17H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine?
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine is sourced from PubChem (CID 175631821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).