1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine

C14H17N3O — CID 66154060

IUPAC1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2cncn2C2CC2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-18-16-9-14-8-15-11-17(14)13-6-7-13/h1-5,8,11,13,16H,6-7,9-10H2
InChIKeyAESIBBSFFRSCIW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine

1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine (PubChem CID 66154060) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine
PubChem CID66154060
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2cncn2C2CC2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-18-16-9-14-8-15-11-17(14)13-6-7-13/h1-5,8,11,13,16H,6-7,9-10H2
InChIKeyAESIBBSFFRSCIW-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-3-phenoxypropan-1-amine
CID 66140006
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 66162308
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66154635
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 66161723
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 79041997
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66154634
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylsulfonylaniline
CID 66162319
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 66140786
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66139617

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine (CID 66154060) is 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine is c1ccc(CONCc2cncn2C2CC2)cc1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine?
The InChIKey is AESIBBSFFRSCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-18-16-9-14-8-15-11-17(14)13-6-7-13/h1-5,8,11,13,16H,6-7,9-10H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine?
1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 66154060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).