N-[(4-methoxyphenyl)methyl]hexan-2-amine

C14H23NO — CID 43760039

IUPACN-[(4-methoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-12(2)15-11-13-7-9-14(16-3)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyMASSQGBEGWWQJD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]hexan-2-amine

N-[(4-methoxyphenyl)methyl]hexan-2-amine (PubChem CID 43760039) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]hexan-2-amine
PubChem CID43760039
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(4-methoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-12(2)15-11-13-7-9-14(16-3)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyMASSQGBEGWWQJD-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
(2R)-N-benzylheptan-2-amine
CID 14923313
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]hexan-2-amine (CID 43760039) is N-[(4-methoxyphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]hexan-2-amine?
The InChIKey is MASSQGBEGWWQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-12(2)15-11-13-7-9-14(16-3)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]hexan-2-amine?
N-[(4-methoxyphenyl)methyl]hexan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]hexan-2-amine is sourced from PubChem (CID 43760039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).