2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine

C15H24ClNO — CID 65125259

IUPAC2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(OCc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H24ClNO/c1-4-8-17-10-15(12(2)3)18-11-13-6-5-7-14(16)9-13/h5-7,9,12,15,17H,4,8,10-11H2,1-3H3
InChIKeyJXPCMQWHZYWPLH-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.88
Rot. Bonds8

About 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine

2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine (PubChem CID 65125259) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
PubChem CID65125259
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(OCc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H24ClNO/c1-4-8-17-10-15(12(2)3)18-11-13-6-5-7-14(16)9-13/h5-7,9,12,15,17H,4,8,10-11H2,1-3H3
InChIKeyJXPCMQWHZYWPLH-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 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 ≤ 53.88
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

4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
CID 63522811
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine (CID 65125259) is 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine is CCCNCC(OCc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine?
The InChIKey is JXPCMQWHZYWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-8-17-10-15(12(2)3)18-11-13-6-5-7-14(16)9-13/h5-7,9,12,15,17H,4,8,10-11H2,1-3H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine?
2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 65125259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).