N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine

C14H17ClN2O — CID 79100066

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCOc1ccc(CNn2c(C)ccc2C)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-10-4-5-11(2)17(10)16-9-12-6-7-14(18-3)13(15)8-12/h4-8,16H,9H2,1-3H3
InChIKeyVSWWDTXRGOTEQQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.51
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79100066) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79100066
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCOc1ccc(CNn2c(C)ccc2C)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-10-4-5-11(2)17(10)16-9-12-6-7-14(18-3)13(15)8-12/h4-8,16H,9H2,1-3H3
InChIKeyVSWWDTXRGOTEQQ-UHFFFAOYSA-N
XLogP3.51
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 133378421
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylpropanenitrile
CID 115129256
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine (CID 79100066) is N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine is COc1ccc(CNn2c(C)ccc2C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is VSWWDTXRGOTEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10-4-5-11(2)17(10)16-9-12-6-7-14(18-3)13(15)8-12/h4-8,16H,9H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).