N-ethyl-1-(3-methoxyphenyl)octan-2-amine

C17H29NO — CID 62602505

IUPACN-ethyl-1-(3-methoxyphenyl)octan-2-amine
SMILESCCCCCCC(Cc1cccc(OC)c1)NCC
InChIInChI=1S/C17H29NO/c1-4-6-7-8-11-16(18-5-2)13-15-10-9-12-17(14-15)19-3/h9-10,12,14,16,18H,4-8,11,13H2,1-3H3
InChIKeyKGRGQSZENIQBFP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.19
Rot. Bonds10

About N-ethyl-1-(3-methoxyphenyl)octan-2-amine

N-ethyl-1-(3-methoxyphenyl)octan-2-amine (PubChem CID 62602505) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)octan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)octan-2-amine
PubChem CID62602505
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(3-methoxyphenyl)octan-2-amine
SMILESCCCCCCC(Cc1cccc(OC)c1)NCC
InChIInChI=1S/C17H29NO/c1-4-6-7-8-11-16(18-5-2)13-15-10-9-12-17(14-15)19-3/h9-10,12,14,16,18H,4-8,11,13H2,1-3H3
InChIKeyKGRGQSZENIQBFP-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
CID 103031663
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
CID 103149560
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)octan-2-amine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)octan-2-amine (CID 62602505) is N-ethyl-1-(3-methoxyphenyl)octan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)octan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)octan-2-amine is CCCCCCC(Cc1cccc(OC)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)octan-2-amine?
The InChIKey is KGRGQSZENIQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-7-8-11-16(18-5-2)13-15-10-9-12-17(14-15)19-3/h9-10,12,14,16,18H,4-8,11,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)octan-2-amine?
N-ethyl-1-(3-methoxyphenyl)octan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)octan-2-amine is sourced from PubChem (CID 62602505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).