1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine

C16H23ClN2 — CID 117447117

IUPAC1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(N3CCCC3)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23ClN2/c17-14-12-13(16(18)8-2-1-3-9-16)6-7-15(14)19-10-4-5-11-19/h6-7,12H,1-5,8-11,18H2
InChIKeyOGGWHOGWDLVSSB-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.06
Rot. Bonds2

About 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine

1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine (PubChem CID 117447117) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
PubChem CID117447117
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(N3CCCC3)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H23ClN2/c17-14-12-13(16(18)8-2-1-3-9-16)6-7-15(14)19-10-4-5-11-19/h6-7,12H,1-5,8-11,18H2
InChIKeyOGGWHOGWDLVSSB-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine (CID 117447117) is 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine is NC1(c2ccc(N3CCCC3)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine?
The InChIKey is OGGWHOGWDLVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-14-12-13(16(18)8-2-1-3-9-16)6-7-15(14)19-10-4-5-11-19/h6-7,12H,1-5,8-11,18H2.
What are the key properties of 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine?
1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine has a molecular weight of 278.83 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117447117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).