(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine

C14H17N3O — CID 107977755

IUPAC(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C14H17N3O/c1-17-8-13(16-9-17)14(15)10-2-4-11(5-3-10)18-12-6-7-12/h2-5,8-9,12,14H,6-7,15H2,1H3
InChIKeyLUWLYOOEGZOFFB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine

(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine (PubChem CID 107977755) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine
PubChem CID107977755
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C14H17N3O/c1-17-8-13(16-9-17)14(15)10-2-4-11(5-3-10)18-12-6-7-12/h2-5,8-9,12,14H,6-7,15H2,1H3
InChIKeyLUWLYOOEGZOFFB-UHFFFAOYSA-N
XLogP2.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974705
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 114519781
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114520707
1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
CID 131934981
(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 105051389
(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
CID 105051512

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine (CID 107977755) is (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine is Cn1cnc(C(N)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine?
The InChIKey is LUWLYOOEGZOFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-8-13(16-9-17)14(15)10-2-4-11(5-3-10)18-12-6-7-12/h2-5,8-9,12,14H,6-7,15H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine?
(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107977755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).