4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline

C15H23ClN2 — CID 63627196

IUPAC4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
SMILESCC1CCCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2/c1-13-3-2-10-18(11-8-13)12-9-17-15-6-4-14(16)5-7-15/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyNCFRMNATNSMNKK-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline

4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline (PubChem CID 63627196) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
PubChem CID63627196
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
SMILESCC1CCCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2/c1-13-3-2-10-18(11-8-13)12-9-17-15-6-4-14(16)5-7-15/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyNCFRMNATNSMNKK-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
4-chloro-N-[2-(1,4-thiazepan-4-yl)ethyl]aniline
CID 62557767
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64583608
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline (CID 63627196) is 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline is CC1CCCN(CCNc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
The InChIKey is NCFRMNATNSMNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13-3-2-10-18(11-8-13)12-9-17-15-6-4-14(16)5-7-15/h4-7,13,17H,2-3,8-12H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline?
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline has a molecular weight of 266.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline is sourced from PubChem (CID 63627196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).