2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine

C14H22ClNO — CID 62459363

IUPAC2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)14(9-16-11(3)4)17-13-7-5-6-12(15)8-13/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyBMHAONCVXMVAGK-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine

2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62459363) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62459363
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H22ClNO/c1-10(2)14(9-16-11(3)4)17-13-7-5-6-12(15)8-13/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyBMHAONCVXMVAGK-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 64600457
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine (CID 62459363) is 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(Oc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is BMHAONCVXMVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)14(9-16-11(3)4)17-13-7-5-6-12(15)8-13/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62459363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).