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

C16H26ClNO — CID 103282985

IUPAC1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
SMILESCCCC(C)COC(c1ccccc1Cl)C(N)CC
InChIInChI=1S/C16H26ClNO/c1-4-8-12(3)11-19-16(15(18)5-2)13-9-6-7-10-14(13)17/h6-7,9-10,12,15-16H,4-5,8,11,18H2,1-3H3
InChIKeyYWRNHJRBKUGGCK-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.57
Rot. Bonds8

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

1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine (PubChem CID 103282985) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
PubChem CID103282985
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
SMILESCCCC(C)COC(c1ccccc1Cl)C(N)CC
InChIInChI=1S/C16H26ClNO/c1-4-8-12(3)11-19-16(15(18)5-2)13-9-6-7-10-14(13)17/h6-7,9-10,12,15-16H,4-5,8,11,18H2,1-3H3
InChIKeyYWRNHJRBKUGGCK-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(3-chloro-2-methylphenyl)-3-methylhexan-1-amine
CID 107102223
1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
CID 63460803
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine (CID 103282985) is 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine is CCCC(C)COC(c1ccccc1Cl)C(N)CC.
What is the InChIKey of 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine?
The InChIKey is YWRNHJRBKUGGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-8-12(3)11-19-16(15(18)5-2)13-9-6-7-10-14(13)17/h6-7,9-10,12,15-16H,4-5,8,11,18H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine?
1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.57, 8 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)butan-2-amine is sourced from PubChem (CID 103282985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).