4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline

C14H16ClN3O — CID 107621334

IUPAC4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2cncn2C2CC2)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-19-14-6-10(2-5-13(14)15)17-8-12-7-16-9-18(12)11-3-4-11/h2,5-7,9,11,17H,3-4,8H2,1H3
InChIKeyHYSKCIXKTDRDBP-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.49
Rot. Bonds5

About 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline

4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline (PubChem CID 107621334) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline
PubChem CID107621334
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2cncn2C2CC2)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-19-14-6-10(2-5-13(14)15)17-8-12-7-16-9-18(12)11-3-4-11/h2,5-7,9,11,17H,3-4,8H2,1H3
InChIKeyHYSKCIXKTDRDBP-UHFFFAOYSA-N
XLogP3.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66162069
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-fluoroaniline
CID 66162716
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 66162070
N-[(3-cyclopropylimidazol-4-yl)methyl]-1H-indazol-5-amine
CID 66164096
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 66162533
4-bromo-2-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66164277
N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
CID 66163750
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
CID 66163708
5-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 66162297
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline (CID 107621334) is 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline is COc1cc(NCc2cncn2C2CC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline?
The InChIKey is HYSKCIXKTDRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-14-6-10(2-5-13(14)15)17-8-12-7-16-9-18(12)11-3-4-11/h2,5-7,9,11,17H,3-4,8H2,1H3.
What are the key properties of 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline?
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline has a molecular weight of 277.76 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxyaniline is sourced from PubChem (CID 107621334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).