1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine

C15H22ClNO2 — CID 104667102

IUPAC1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OCC1CC1
InChIInChI=1S/C15H22ClNO2/c1-3-13(17)7-11-6-12(16)8-14(18-2)15(11)19-9-10-4-5-10/h6,8,10,13H,3-5,7,9,17H2,1-2H3
InChIKeyPGZYOTQMHCCMDW-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.42
Rot. Bonds7

About 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine

1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine (PubChem CID 104667102) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
PubChem CID104667102
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OCC1CC1
InChIInChI=1S/C15H22ClNO2/c1-3-13(17)7-11-6-12(16)8-14(18-2)15(11)19-9-10-4-5-10/h6,8,10,13H,3-5,7,9,17H2,1-2H3
InChIKeyPGZYOTQMHCCMDW-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667098
1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889959
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 106439695
N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665044
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 104667097
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine (CID 104667102) is 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine is CCC(N)Cc1cc(Cl)cc(OC)c1OCC1CC1.
What is the InChIKey of 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine?
The InChIKey is PGZYOTQMHCCMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-13(17)7-11-6-12(16)8-14(18-2)15(11)19-9-10-4-5-10/h6,8,10,13H,3-5,7,9,17H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine?
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine is sourced from PubChem (CID 104667102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).