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

C15H25NO — CID 62199273

IUPACN-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(C)ccc1OC
InChIInChI=1S/C15H25NO/c1-5-6-7-13(3)16-11-14-10-12(2)8-9-15(14)17-4/h8-10,13,16H,5-7,11H2,1-4H3
InChIKeyZIYXQWAEEFUZBU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds7

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

N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine (PubChem CID 62199273) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
PubChem CID62199273
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(C)ccc1OC
InChIInChI=1S/C15H25NO/c1-5-6-7-13(3)16-11-14-10-12(2)8-9-15(14)17-4/h8-10,13,16H,5-7,11H2,1-4H3
InChIKeyZIYXQWAEEFUZBU-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
CID 120510198
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
CID 62200224
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
N-[(2,4,5-trimethoxyphenyl)methyl]heptan-2-amine
CID 43398782
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid
CID 43631579

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine (CID 62199273) is N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1cc(C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine?
The InChIKey is ZIYXQWAEEFUZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-7-13(3)16-11-14-10-12(2)8-9-15(14)17-4/h8-10,13,16H,5-7,11H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine?
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.67, 7 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]hexan-2-amine is sourced from PubChem (CID 62199273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).