N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline

C17H28N2O — CID 79559708

IUPACN-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)CC1CCCCCN1
InChIInChI=1S/C17H28N2O/c1-14(12-16-9-4-3-7-11-18-16)19-17-10-6-5-8-15(17)13-20-2/h5-6,8,10,14,16,18-19H,3-4,7,9,11-13H2,1-2H3
InChIKeyJNAZZFBAZCRLEN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline

N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline (PubChem CID 79559708) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
PubChem CID79559708
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)CC1CCCCCN1
InChIInChI=1S/C17H28N2O/c1-14(12-16-9-4-3-7-11-18-16)19-17-10-6-5-8-15(17)13-20-2/h5-6,8,10,14,16,18-19H,3-4,7,9,11-13H2,1-2H3
InChIKeyJNAZZFBAZCRLEN-UHFFFAOYSA-N
XLogP3.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline (CID 79559708) is N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline is COCc1ccccc1NC(C)CC1CCCCCN1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline?
The InChIKey is JNAZZFBAZCRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(12-16-9-4-3-7-11-18-16)19-17-10-6-5-8-15(17)13-20-2/h5-6,8,10,14,16,18-19H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline?
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 79559708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).