N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline

C18H23NO — CID 43769003

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
SMILESCOc1ccc(CNc2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-13(2)16-6-5-7-17(11-16)19-12-15-8-9-18(20-4)14(3)10-15/h5-11,13,19H,12H2,1-4H3
InChIKeyNXUWMNVPLMGOQN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.74
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline

N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline (PubChem CID 43769003) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
PubChem CID43769003
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
SMILESCOc1ccc(CNc2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-13(2)16-6-5-7-17(11-16)19-12-15-8-9-18(20-4)14(3)10-15/h5-11,13,19H,12H2,1-4H3
InChIKeyNXUWMNVPLMGOQN-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43780458
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline
CID 28545977
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43233112
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline (CID 43769003) is N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline is COc1ccc(CNc2cccc(C(C)C)c2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline?
The InChIKey is NXUWMNVPLMGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-6-5-7-17(11-16)19-12-15-8-9-18(20-4)14(3)10-15/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline?
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline is sourced from PubChem (CID 43769003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).