1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine

C14H22ClNO — CID 82266811

IUPAC1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(N)c1c(C)c(Cl)cc(C)c1OC(C)C
InChIInChI=1S/C14H22ClNO/c1-6-12(16)13-10(5)11(15)7-9(4)14(13)17-8(2)3/h7-8,12H,6,16H2,1-5H3
InChIKeyPQLDYGCZGQEMGR-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine

1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82266811) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82266811
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(N)c1c(C)c(Cl)cc(C)c1OC(C)C
InChIInChI=1S/C14H22ClNO/c1-6-12(16)13-10(5)11(15)7-9(4)14(13)17-8(2)3/h7-8,12H,6,16H2,1-5H3
InChIKeyPQLDYGCZGQEMGR-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82267544
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
CID 82266800
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614
2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
CID 83899736
(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
CID 82758328
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
CID 83940446
1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
CID 170890133
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)pentanenitrile
CID 83940496
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine (CID 82266811) is 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine is CCC(N)c1c(C)c(Cl)cc(C)c1OC(C)C.
What is the InChIKey of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is PQLDYGCZGQEMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-6-12(16)13-10(5)11(15)7-9(4)14(13)17-8(2)3/h7-8,12H,6,16H2,1-5H3.
What are the key properties of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine?
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82266811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).