[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C16H23ClN2O — CID 117475472

IUPAC[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(Cl)cc(OCC2CC2)c1
InChIInChI=1S/C16H23ClN2O/c1-19-9-12(8-18)4-16(19)13-5-14(17)7-15(6-13)20-10-11-2-3-11/h5-7,11-12,16H,2-4,8-10,18H2,1H3
InChIKeyUKCHPDQNAWXEHM-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.08
Rot. Bonds5

About [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117475472) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117475472
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(Cl)cc(OCC2CC2)c1
InChIInChI=1S/C16H23ClN2O/c1-19-9-12(8-18)4-16(19)13-5-14(17)7-15(6-13)20-10-11-2-3-11/h5-7,11-12,16H,2-4,8-10,18H2,1H3
InChIKeyUKCHPDQNAWXEHM-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472352
[5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117199
[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479
[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117374568
[5-(3-chloro-4,5-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406207
[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117446543
[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438857
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorobenzene-1,2-diol
CID 117353445
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
[5-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117481346

Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117475472) is [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cc(Cl)cc(OCC2CC2)c1.
What is the InChIKey of [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is UKCHPDQNAWXEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19-9-12(8-18)4-16(19)13-5-14(17)7-15(6-13)20-10-11-2-3-11/h5-7,11-12,16H,2-4,8-10,18H2,1H3.
What are the key properties of [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 294.83 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117475472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).