1-(4-methoxyphenyl)-3-propylhexan-2-amine

C16H27NO — CID 82987770

IUPAC1-(4-methoxyphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-14(7-5-2)16(17)12-13-8-10-15(18-3)11-9-13/h8-11,14,16H,4-7,12,17H2,1-3H3
InChIKeyNVGRTGMQSZPYTJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-propylhexan-2-amine

1-(4-methoxyphenyl)-3-propylhexan-2-amine (PubChem CID 82987770) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-propylhexan-2-amine
PubChem CID82987770
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-methoxyphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-14(7-5-2)16(17)12-13-8-10-15(18-3)11-9-13/h8-11,14,16H,4-7,12,17H2,1-3H3
InChIKeyNVGRTGMQSZPYTJ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
CID 82987406
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 70266735
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-propylhexan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-propylhexan-2-amine (CID 82987770) is 1-(4-methoxyphenyl)-3-propylhexan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-propylhexan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-propylhexan-2-amine is CCCC(CCC)C(N)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-propylhexan-2-amine?
The InChIKey is NVGRTGMQSZPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-14(7-5-2)16(17)12-13-8-10-15(18-3)11-9-13/h8-11,14,16H,4-7,12,17H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-propylhexan-2-amine?
1-(4-methoxyphenyl)-3-propylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-propylhexan-2-amine is sourced from PubChem (CID 82987770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).