2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine

C13H18ClNO — CID 65029818

IUPAC2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCC(Cl)C1CC1
InChIInChI=1S/C13H18ClNO/c1-16-13-5-3-2-4-11(13)8-15-9-12(14)10-6-7-10/h2-5,10,12,15H,6-9H2,1H3
InChIKeyMZUIDCIOWGQWNM-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.80
Rot. Bonds6

About 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine

2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 65029818) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID65029818
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCC(Cl)C1CC1
InChIInChI=1S/C13H18ClNO/c1-16-13-5-3-2-4-11(13)8-15-9-12(14)10-6-7-10/h2-5,10,12,15H,6-9H2,1H3
InChIKeyMZUIDCIOWGQWNM-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine (CID 65029818) is 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNCC(Cl)C1CC1.
What is the InChIKey of 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is MZUIDCIOWGQWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-5-3-2-4-11(13)8-15-9-12(14)10-6-7-10/h2-5,10,12,15H,6-9H2,1H3.
What are the key properties of 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine?
2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 65029818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).