1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine

C15H24ClNO — CID 103283025

IUPAC1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
SMILESCCCC(C)COC(c1ccccc1Cl)C(C)N
InChIInChI=1S/C15H24ClNO/c1-4-7-11(2)10-18-15(12(3)17)13-8-5-6-9-14(13)16/h5-6,8-9,11-12,15H,4,7,10,17H2,1-3H3
InChIKeyPGWWRVDRIDRKBR-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.18
Rot. Bonds7

About 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine

1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine (PubChem CID 103283025) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
PubChem CID103283025
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
SMILESCCCC(C)COC(c1ccccc1Cl)C(C)N
InChIInChI=1S/C15H24ClNO/c1-4-7-11(2)10-18-15(12(3)17)13-8-5-6-9-14(13)16/h5-6,8-9,11-12,15H,4,7,10,17H2,1-3H3
InChIKeyPGWWRVDRIDRKBR-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
CID 103282985
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine
CID 107102223
1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
CID 82004722
1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine
CID 102721671
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine (CID 103283025) is 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine is CCCC(C)COC(c1ccccc1Cl)C(C)N.
What is the InChIKey of 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine?
The InChIKey is PGWWRVDRIDRKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-7-11(2)10-18-15(12(3)17)13-8-5-6-9-14(13)16/h5-6,8-9,11-12,15H,4,7,10,17H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine?
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine is sourced from PubChem (CID 103283025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).