N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine

C18H23NO — CID 105408408

IUPACN-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2cc(CNC(C)C)ccc2C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)19-12-15-6-5-14(3)18(11-15)16-7-9-17(20-4)10-8-16/h5-11,13,19H,12H2,1-4H3
InChIKeyAKDNNSHHOMCQIC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds5

About N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105408408) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105408408
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2cc(CNC(C)C)ccc2C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)19-12-15-6-5-14(3)18(11-15)16-7-9-17(20-4)10-8-16/h5-11,13,19H,12H2,1-4H3
InChIKeyAKDNNSHHOMCQIC-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
CID 63806495
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 83046374
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine (CID 105408408) is N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine is COc1ccc(-c2cc(CNC(C)C)ccc2C)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is AKDNNSHHOMCQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)19-12-15-6-5-14(3)18(11-15)16-7-9-17(20-4)10-8-16/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105408408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).