N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine

C18H23NO — CID 39369134

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCC(C)COc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(2)14-20-18-10-8-17(9-11-18)13-19-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyYRSAWZJFRNXTNU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.01
Rot. Bonds7

About N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine

N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 39369134) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID39369134
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCC(C)COc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(2)14-20-18-10-8-17(9-11-18)13-19-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyYRSAWZJFRNXTNU-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
1-[4-[(2-methylpropylamino)methyl]phenoxy]-3-phenylmethoxypropan-2-ol
CID 113235681
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
2-ethyl-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine (CID 39369134) is N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine is CC(C)COc1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is YRSAWZJFRNXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(2)14-20-18-10-8-17(9-11-18)13-19-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 39369134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).