N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine

C15H24N2O — CID 65070554

IUPACN-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
SMILESCOCc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-17-9-4-7-14(8-10-17)16-15-6-3-5-13(11-15)12-18-2/h3,5-6,11,14,16H,4,7-10,12H2,1-2H3
InChIKeyXAEHLCXNCXYOEE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.73
Rot. Bonds4

About N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine

N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine (PubChem CID 65070554) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
PubChem CID65070554
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
SMILESCOCc1cccc(NC2CCCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-17-9-4-7-14(8-10-17)16-15-6-3-5-13(11-15)12-18-2/h3,5-6,11,14,16H,4,7-10,12H2,1-2H3
InChIKeyXAEHLCXNCXYOEE-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
N-(3-ethynylphenyl)-1-methylazepan-4-amine
CID 65071478
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine (CID 65070554) is N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine is COCc1cccc(NC2CCCN(C)CC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine?
The InChIKey is XAEHLCXNCXYOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17-9-4-7-14(8-10-17)16-15-6-3-5-13(11-15)12-18-2/h3,5-6,11,14,16H,4,7-10,12H2,1-2H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine?
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).