2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine

C15H24ClNO — CID 112519805

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-5-8-15(4,10-17)12-6-7-14(13(16)9-12)18-11(2)3/h6-7,9,11H,5,8,10,17H2,1-4H3
InChIKeyDDDHCNKRLDCOED-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.14
Rot. Bonds6

About 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine

2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine (PubChem CID 112519805) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
PubChem CID112519805
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-5-8-15(4,10-17)12-6-7-14(13(16)9-12)18-11(2)3/h6-7,9,11H,5,8,10,17H2,1-4H3
InChIKeyDDDHCNKRLDCOED-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
CID 82293995
2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine
CID 112519815
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
CID 105426766
4-amino-3-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 57154824
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
CID 174561684
CID 174561684
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
2-(3-chloro-4-propan-2-yloxyphenyl)-2-propan-2-ylhex-4-ynoic acid
CID 70446096

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine (CID 112519805) is 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine is CCCC(C)(CN)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine?
The InChIKey is DDDHCNKRLDCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-8-15(4,10-17)12-6-7-14(13(16)9-12)18-11(2)3/h6-7,9,11H,5,8,10,17H2,1-4H3.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine?
2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 112519805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).