2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine

C15H24ClNO — CID 79449337

IUPAC2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
SMILESCC(C)CCOCCC(CN)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-12(2)7-9-18-10-8-13(11-17)14-5-3-4-6-15(14)16/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyMXOCOPXBSSZNIS-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.84
Rot. Bonds8

About 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine

2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine (PubChem CID 79449337) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
PubChem CID79449337
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
SMILESCC(C)CCOCCC(CN)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-12(2)7-9-18-10-8-13(11-17)14-5-3-4-6-15(14)16/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyMXOCOPXBSSZNIS-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412655
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
1-(1-bromo-4-ethoxybutan-2-yl)-2-chlorobenzene
CID 79454859
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79437061
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine (CID 79449337) is 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine is CC(C)CCOCCC(CN)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine?
The InChIKey is MXOCOPXBSSZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)7-9-18-10-8-13(11-17)14-5-3-4-6-15(14)16/h3-6,12-13H,7-11,17H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine?
2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine is sourced from PubChem (CID 79449337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).