N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine

C14H23NO — CID 115728145

IUPACN-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine
SMILESCOc1cc(C)ccc1CNC(C)C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)12(4)15-9-13-7-6-11(3)8-14(13)16-5/h6-8,10,12,15H,9H2,1-5H3
InChIKeyKGWPAGCHIJRCKS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine

N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine (PubChem CID 115728145) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine
PubChem CID115728145
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine
SMILESCOc1cc(C)ccc1CNC(C)C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)12(4)15-9-13-7-6-11(3)8-14(13)16-5/h6-8,10,12,15H,9H2,1-5H3
InChIKeyKGWPAGCHIJRCKS-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808697
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
CID 60690317
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
2-N-[(4-bromo-2-methoxyphenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345370

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine (CID 115728145) is N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine is COc1cc(C)ccc1CNC(C)C(C)C.
What is the InChIKey of N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine?
The InChIKey is KGWPAGCHIJRCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)12(4)15-9-13-7-6-11(3)8-14(13)16-5/h6-8,10,12,15H,9H2,1-5H3.
What are the key properties of N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine?
N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-methylphenyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115728145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).