N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine

C16H27NO — CID 43089137

IUPACN-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
SMILESCCCCCCCNCCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-13-17-14-12-15-8-10-16(18-2)11-9-15/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyDVOCSZAMZUICPE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.80
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine

N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine (PubChem CID 43089137) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
PubChem CID43089137
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
SMILESCCCCCCCNCCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-13-17-14-12-15-8-10-16(18-2)11-9-15/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyDVOCSZAMZUICPE-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.80
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

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
4-[2-(octylamino)ethyl]aniline
CID 113337418
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
4-[2-(pentylamino)ethyl]phenol
CID 61236551
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
6-[2-[3-(4-methoxyphenyl)propylamino]ethyl]undecan-6-ol
CID 12986246

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine (CID 43089137) is N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine is CCCCCCCNCCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine?
The InChIKey is DVOCSZAMZUICPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-6-7-13-17-14-12-15-8-10-16(18-2)11-9-15/h8-11,17H,3-7,12-14H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.80, 10 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]heptan-1-amine is sourced from PubChem (CID 43089137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).