N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine

C16H27NO — CID 43178052

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
SMILESCOc1ccc(CCNC(C)CCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-13(2)5-6-14(3)17-12-11-15-7-9-16(18-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyWCELVKOAPMMYDR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine

N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 43178052) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
PubChem CID43178052
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
SMILESCOc1ccc(CCNC(C)CCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-13(2)5-6-14(3)17-12-11-15-7-9-16(18-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyWCELVKOAPMMYDR-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62554430
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine (CID 43178052) is N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine is COc1ccc(CCNC(C)CCC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is WCELVKOAPMMYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)5-6-14(3)17-12-11-15-7-9-16(18-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43178052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).