N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C16H25ClN2O — CID 61208914

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCOc1ccc(Cl)cc1CNCC1CCN(C(C)C)C1
InChIInChI=1S/C16H25ClN2O/c1-12(2)19-7-6-13(11-19)9-18-10-14-8-15(17)4-5-16(14)20-3/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3
InChIKeyXLSCRCYFNQUSCH-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.17
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 61208914) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID61208914
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCOc1ccc(Cl)cc1CNCC1CCN(C(C)C)C1
InChIInChI=1S/C16H25ClN2O/c1-12(2)19-7-6-13(11-19)9-18-10-14-8-15(17)4-5-16(14)20-3/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3
InChIKeyXLSCRCYFNQUSCH-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207914
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61209102
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 60958068
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207553
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62474594
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
1-(3-bromo-4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207365
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 61208914) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is COc1ccc(Cl)cc1CNCC1CCN(C(C)C)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is XLSCRCYFNQUSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)19-7-6-13(11-19)9-18-10-14-8-15(17)4-5-16(14)20-3/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 296.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 61208914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).