N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine

C14H23NO — CID 43406677

IUPACN-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(C)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-6-12(3)15-10-13-9-11(2)7-8-14(13)16-4/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyYYXBVXOZJYKMCU-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.28
Rot. Bonds6

About N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine

N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine (PubChem CID 43406677) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
PubChem CID43406677
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(C)ccc1OC
InChIInChI=1S/C14H23NO/c1-5-6-12(3)15-10-13-9-11(2)7-8-14(13)16-4/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyYYXBVXOZJYKMCU-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid
CID 43631579
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
CID 120510198
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine (CID 43406677) is N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine is CCCC(C)NCc1cc(C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine?
The InChIKey is YYXBVXOZJYKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-12(3)15-10-13-9-11(2)7-8-14(13)16-4/h7-9,12,15H,5-6,10H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine?
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 43406677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).