4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol

C21H27Cl2NO — CID 76834428

IUPAC4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(c1ccc(Cl)cc1)C(CCCO)c1cccc(Cl)c1
InChIInChI=1S/C21H27Cl2NO/c1-15(2)24-21(3,17-9-11-18(22)12-10-17)20(8-5-13-25)16-6-4-7-19(23)14-16/h4,6-7,9-12,14-15,20,24-25H,5,8,13H2,1-3H3
InChIKeyICCQGSFZYMKHKR-UHFFFAOYSA-N
MW380.36 g/mol
LogP5.76
Rot. Bonds8

About 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol

4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol (PubChem CID 76834428) has the molecular formula C21H27Cl2NO and a molecular weight of 380.36 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol
PubChem CID76834428
Molecular FormulaC21H27Cl2NO
Molecular Weight380.36 g/mol
Exact Mass379.15
IUPAC Name4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(c1ccc(Cl)cc1)C(CCCO)c1cccc(Cl)c1
InChIInChI=1S/C21H27Cl2NO/c1-15(2)24-21(3,17-9-11-18(22)12-10-17)20(8-5-13-25)16-6-4-7-19(23)14-16/h4,6-7,9-12,14-15,20,24-25H,5,8,13H2,1-3H3
InChIKeyICCQGSFZYMKHKR-UHFFFAOYSA-N
XLogP5.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.36
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol
CID 129153633
(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentanoic acid
CID 129154293
[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 90341642
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
4-(3-chloroanilino)pentan-1-ol
CID 115975852
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
2-[[1-(3-chlorophenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol;hydrochloride
CID 3027654
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
CID 111496341

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol (CID 76834428) is 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(c1ccc(Cl)cc1)C(CCCO)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol?
The InChIKey is ICCQGSFZYMKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2NO/c1-15(2)24-21(3,17-9-11-18(22)12-10-17)20(8-5-13-25)16-6-4-7-19(23)14-16/h4,6-7,9-12,14-15,20,24-25H,5,8,13H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol?
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol has a molecular weight of 380.36 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 76834428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).