N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine

C18H23ClN2 — CID 42761712

IUPACN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
SMILESClc1ccccc1Cn1cccc1CNC1CCCCC1
InChIInChI=1S/C18H23ClN2/c19-18-11-5-4-7-15(18)14-21-12-6-10-17(21)13-20-16-8-2-1-3-9-16/h4-7,10-12,16,20H,1-3,8-9,13-14H2
InChIKeyCGYMTXZZYNSTPU-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.61
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine (PubChem CID 42761712) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
PubChem CID42761712
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
SMILESClc1ccccc1Cn1cccc1CNC1CCCCC1
InChIInChI=1S/C18H23ClN2/c19-18-11-5-4-7-15(18)14-21-12-6-10-17(21)13-20-16-8-2-1-3-9-16/h4-7,10-12,16,20H,1-3,8-9,13-14H2
InChIKeyCGYMTXZZYNSTPU-UHFFFAOYSA-N
XLogP4.61
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 810153
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 810247
1-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-cyclohexylurea
CID 3624305
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-cyclopentylpropanamide
CID 4010761
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylcyclopentanecarboxamide
CID 3987883
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
CID 124895872
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402791

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine (CID 42761712) is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine is Clc1ccccc1Cn1cccc1CNC1CCCCC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?
The InChIKey is CGYMTXZZYNSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c19-18-11-5-4-7-15(18)14-21-12-6-10-17(21)13-20-16-8-2-1-3-9-16/h4-7,10-12,16,20H,1-3,8-9,13-14H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine has a molecular weight of 302.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 42761712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).