N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine

C16H27NO — CID 62198537

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
SMILESCCCCC(C)NC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-5-6-7-13(2)17-14(3)12-15-8-10-16(18-4)11-9-15/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyHOHKJEGREVQQCT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine

N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine (PubChem CID 62198537) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
PubChem CID62198537
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
SMILESCCCCC(C)NC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-5-6-7-13(2)17-14(3)12-15-8-10-16(18-4)11-9-15/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyHOHKJEGREVQQCT-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
2-[(4-methoxyphenyl)methyl]hexanenitrile
CID 132506369
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
CID 65047513
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
CID 61473299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine (CID 62198537) is N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine is CCCCC(C)NC(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine?
The InChIKey is HOHKJEGREVQQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-13(2)17-14(3)12-15-8-10-16(18-4)11-9-15/h8-11,13-14,17H,5-7,12H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine is sourced from PubChem (CID 62198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).