N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine

C16H26N2O — CID 65070534

IUPACN-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
SMILESCCOc1cccc(CNC2CCCN(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-8-4-6-14(12-16)13-17-15-7-5-10-18(2)11-9-15/h4,6,8,12,15,17H,3,5,7,9-11,13H2,1-2H3
InChIKeyIICDVSXEAVOKKU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine

N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine (PubChem CID 65070534) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
PubChem CID65070534
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
SMILESCCOc1cccc(CNC2CCCN(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-8-4-6-14(12-16)13-17-15-7-5-10-18(2)11-9-15/h4,6,8,12,15,17H,3,5,7,9-11,13H2,1-2H3
InChIKeyIICDVSXEAVOKKU-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 60873537
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-benzyl-1-methylpiperidin-4-amine
CID 1114650

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine (CID 65070534) is N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine is CCOc1cccc(CNC2CCCN(C)CC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine?
The InChIKey is IICDVSXEAVOKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-8-4-6-14(12-16)13-17-15-7-5-10-18(2)11-9-15/h4,6,8,12,15,17H,3,5,7,9-11,13H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine?
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).