N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline

C17H21NO2 — CID 39371034

IUPACN-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2)cc1OC(C)C
InChIInChI=1S/C17H21NO2/c1-13(2)20-17-11-14(9-10-16(17)19-3)12-18-15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3
InChIKeyZNMFPXBVSCTAPJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.09
Rot. Bonds6

About N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline

N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 39371034) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
PubChem CID39371034
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2)cc1OC(C)C
InChIInChI=1S/C17H21NO2/c1-13(2)20-17-11-14(9-10-16(17)19-3)12-18-15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3
InChIKeyZNMFPXBVSCTAPJ-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 92658396
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
3-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]phenyl]propanoic acid
CID 122044374
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline (CID 39371034) is N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline is COc1ccc(CNc2ccccc2)cc1OC(C)C.
What is the InChIKey of N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is ZNMFPXBVSCTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(2)20-17-11-14(9-10-16(17)19-3)12-18-15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline?
N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 39371034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).