[2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol

C16H25ClN2O — CID 106360130

IUPAC[2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol
SMILESCC(CN)(Cc1ccc(Cl)cc1)NC1CCCC1CO
InChIInChI=1S/C16H25ClN2O/c1-16(11-18,9-12-5-7-14(17)8-6-12)19-15-4-2-3-13(15)10-20/h5-8,13,15,19-20H,2-4,9-11,18H2,1H3
InChIKeyXXTXRJFCIXPNBO-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.35
Rot. Bonds6

About [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol

[2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol (PubChem CID 106360130) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol
PubChem CID106360130
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol
SMILESCC(CN)(Cc1ccc(Cl)cc1)NC1CCCC1CO
InChIInChI=1S/C16H25ClN2O/c1-16(11-18,9-12-5-7-14(17)8-6-12)19-15-4-2-3-13(15)10-20/h5-8,13,15,19-20H,2-4,9-11,18H2,1H3
InChIKeyXXTXRJFCIXPNBO-UHFFFAOYSA-N
XLogP2.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol (CID 106360130) is [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol is CC(CN)(Cc1ccc(Cl)cc1)NC1CCCC1CO.
What is the InChIKey of [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol?
The InChIKey is XXTXRJFCIXPNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-16(11-18,9-12-5-7-14(17)8-6-12)19-15-4-2-3-13(15)10-20/h5-8,13,15,19-20H,2-4,9-11,18H2,1H3.
What are the key properties of [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol?
[2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol has a molecular weight of 296.84 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-amino-3-(4-chlorophenyl)-2-methylpropan-2-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106360130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).