N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine

C15H22ClNO — CID 62594788

IUPACN-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCOc1ccc(Cl)cc1C1(CNC(C)C)CCC1
InChIInChI=1S/C15H22ClNO/c1-11(2)17-10-15(7-4-8-15)13-9-12(16)5-6-14(13)18-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyGQXGTMDDHGGMKF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.77
Rot. Bonds5

About N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 62594788) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID62594788
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCOc1ccc(Cl)cc1C1(CNC(C)C)CCC1
InChIInChI=1S/C15H22ClNO/c1-11(2)17-10-15(7-4-8-15)13-9-12(16)5-6-14(13)18-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyGQXGTMDDHGGMKF-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62594787
N-[[1-(5-chloro-2-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63512396
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine (CID 62594788) is N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine is COc1ccc(Cl)cc1C1(CNC(C)C)CCC1.
What is the InChIKey of N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is GQXGTMDDHGGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)17-10-15(7-4-8-15)13-9-12(16)5-6-14(13)18-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 62594788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).