2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine

C12H17Cl2NO — CID 62450032

IUPAC2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(2)15-7-9(3)16-12-6-10(13)4-5-11(12)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyGOLROQJXVIZCKI-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.76
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine

2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 62450032) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID62450032
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(2)15-7-9(3)16-12-6-10(13)4-5-11(12)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyGOLROQJXVIZCKI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
CID 63505082
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241
2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 113407375
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
1-(butylamino)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 67328064
2-(2-chloro-5-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112519863
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine (CID 62450032) is 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is GOLROQJXVIZCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(2)15-7-9(3)16-12-6-10(13)4-5-11(12)14/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine?
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62450032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).