(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol

C20H26Cl2N2O — CID 129153633

IUPAC(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)N[C@](N)(c1ccc(Cl)cc1)[C@H](CCCO)c1cccc(Cl)c1
InChIInChI=1S/C20H26Cl2N2O/c1-14(2)24-20(23,16-8-10-17(21)11-9-16)19(7-4-12-25)15-5-3-6-18(22)13-15/h3,5-6,8-11,13-14,19,24-25H,4,7,12,23H2,1-2H3/t19-,20-/m1/s1
InChIKeyMTBODAJBMPVKGF-WOJBJXKFSA-N
MW381.35 g/mol
LogP4.66
Rot. Bonds8

About (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol

(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol (PubChem CID 129153633) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol
PubChem CID129153633
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC Name(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)N[C@](N)(c1ccc(Cl)cc1)[C@H](CCCO)c1cccc(Cl)c1
InChIInChI=1S/C20H26Cl2N2O/c1-14(2)24-20(23,16-8-10-17(21)11-9-16)19(7-4-12-25)15-5-3-6-18(22)13-15/h3,5-6,8-11,13-14,19,24-25H,4,7,12,23H2,1-2H3/t19-,20-/m1/s1
InChIKeyMTBODAJBMPVKGF-WOJBJXKFSA-N
XLogP4.66
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentanoic acid
CID 129154293
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexan-1-ol
CID 76834428
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
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262
N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119385148
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol (CID 129153633) is (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol is CC(C)N[C@](N)(c1ccc(Cl)cc1)[C@H](CCCO)c1cccc(Cl)c1.
What is the InChIKey of (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol?
The InChIKey is MTBODAJBMPVKGF-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H26Cl2N2O/c1-14(2)24-20(23,16-8-10-17(21)11-9-16)19(7-4-12-25)15-5-3-6-18(22)13-15/h3,5-6,8-11,13-14,19,24-25H,4,7,12,23H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol?
(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol has a molecular weight of 381.35 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 129153633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).