[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol

C20H31ClN2O — CID 70930550

IUPAC[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCC(CNCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN2O/c21-19-9-7-17(8-10-19)13-22-12-16-3-5-18(6-4-16)14-23-11-1-2-20(23)15-24/h7-10,16,18,20,22,24H,1-6,11-15H2
InChIKeyDHVBTJWLNWVPMZ-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.69
Rot. Bonds7

About [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol

[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 70930550) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID70930550
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCC(CNCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN2O/c21-19-9-7-17(8-10-19)13-22-12-16-3-5-18(6-4-16)14-23-11-1-2-20(23)15-24/h7-10,16,18,20,22,24H,1-6,11-15H2
InChIKeyDHVBTJWLNWVPMZ-UHFFFAOYSA-N
XLogP3.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 67960833
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
1-[(4-chlorophenyl)methyl]-3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]urea
CID 95763323
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol
CID 111825476

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol (CID 70930550) is [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCC(CNCc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is DHVBTJWLNWVPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O/c21-19-9-7-17(8-10-19)13-22-12-16-3-5-18(6-4-16)14-23-11-1-2-20(23)15-24/h7-10,16,18,20,22,24H,1-6,11-15H2.
What are the key properties of [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 350.93 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70930550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).