N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine

C17H28N2O — CID 65074545

IUPACN-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
SMILESCOCc1cccc(NC2CCCN(C(C)C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-14(2)19-10-5-8-16(9-11-19)18-17-7-4-6-15(12-17)13-20-3/h4,6-7,12,14,16,18H,5,8-11,13H2,1-3H3
InChIKeyMRYSERSRPRKAMA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.51
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine

N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65074545) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
PubChem CID65074545
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
SMILESCOCc1cccc(NC2CCCN(C(C)C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-14(2)19-10-5-8-16(9-11-19)18-17-7-4-6-15(12-17)13-20-3/h4,6-7,12,14,16,18H,5,8-11,13H2,1-3H3
InChIKeyMRYSERSRPRKAMA-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072849
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine (CID 65074545) is N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine is COCc1cccc(NC2CCCN(C(C)C)CC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is MRYSERSRPRKAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)19-10-5-8-16(9-11-19)18-17-7-4-6-15(12-17)13-20-3/h4,6-7,12,14,16,18H,5,8-11,13H2,1-3H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine?
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.51, 5 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-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65074545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).