N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline

C15H23ClN2 — CID 79553516

IUPACN-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
SMILESCC(CC1CCCCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-12(11-15-5-3-2-4-10-17-15)18-14-8-6-13(16)7-9-14/h6-9,12,15,17-18H,2-5,10-11H2,1H3
InChIKeyRJLIFQRHONFPOR-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.06
Rot. Bonds4

About N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline

N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline (PubChem CID 79553516) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
PubChem CID79553516
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
SMILESCC(CC1CCCCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-12(11-15-5-3-2-4-10-17-15)18-14-8-6-13(16)7-9-14/h6-9,12,15,17-18H,2-5,10-11H2,1H3
InChIKeyRJLIFQRHONFPOR-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
CID 107364392
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
CID 79538614

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline (CID 79553516) is N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline is CC(CC1CCCCCN1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline?
The InChIKey is RJLIFQRHONFPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(11-15-5-3-2-4-10-17-15)18-14-8-6-13(16)7-9-14/h6-9,12,15,17-18H,2-5,10-11H2,1H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline?
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline has a molecular weight of 266.82 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline is sourced from PubChem (CID 79553516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).