3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol

C14H21Cl2NO — CID 107093336

IUPAC3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-14(2,3)12(7-8-18)17-9-10-5-4-6-11(15)13(10)16/h4-6,12,17-18H,7-9H2,1-3H3
InChIKeyQAXOXVAFGWPKKT-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.88
Rot. Bonds5

About 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol

3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 107093336) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID107093336
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-14(2,3)12(7-8-18)17-9-10-5-4-6-11(15)13(10)16/h4-6,12,17-18H,7-9H2,1-3H3
InChIKeyQAXOXVAFGWPKKT-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
3-[(2-chloro-6-nitrophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 104953060
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 106348987
1-chloro-N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 107310019
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
3-(2-amino-6-chloroanilino)-4,4-dimethylpentan-1-ol
CID 114176714
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 103761965
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
4-fluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]phenol
CID 114176827

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 107093336) is 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is QAXOXVAFGWPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-14(2,3)12(7-8-18)17-9-10-5-4-6-11(15)13(10)16/h4-6,12,17-18H,7-9H2,1-3H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 107093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).