1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol

C17H27ClN2O — CID 114953529

IUPAC1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCNC(CCN(C)CC1(O)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-19-16(14-6-5-7-15(18)12-14)8-11-20(2)13-17(21)9-3-4-10-17/h5-7,12,16,19,21H,3-4,8-11,13H2,1-2H3
InChIKeyINBTXFTUYUQOSH-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.23
Rot. Bonds7

About 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114953529) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114953529
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCNC(CCN(C)CC1(O)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-19-16(14-6-5-7-15(18)12-14)8-11-20(2)13-17(21)9-3-4-10-17/h5-7,12,16,19,21H,3-4,8-11,13H2,1-2H3
InChIKeyINBTXFTUYUQOSH-UHFFFAOYSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol (CID 114953529) is 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol is CNC(CCN(C)CC1(O)CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is INBTXFTUYUQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-19-16(14-6-5-7-15(18)12-14)8-11-20(2)13-17(21)9-3-4-10-17/h5-7,12,16,19,21H,3-4,8-11,13H2,1-2H3.
What are the key properties of 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 310.87 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).