N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine

C17H29NO — CID 43106121

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-5-14(3)13-16(6-2)18-12-11-15-7-9-17(19-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3
InChIKeyWLXACUOUULOLAP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine

N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine (PubChem CID 43106121) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
PubChem CID43106121
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-5-14(3)13-16(6-2)18-12-11-15-7-9-17(19-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3
InChIKeyWLXACUOUULOLAP-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine
CID 43100737
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine (CID 43106121) is N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine is CCC(C)CC(CC)NCCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine?
The InChIKey is WLXACUOUULOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-14(3)13-16(6-2)18-12-11-15-7-9-17(19-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.04, 9 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-methylheptan-3-amine is sourced from PubChem (CID 43106121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).