2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol

C14H21NO — CID 106506492

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CN)(CO)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-11-3-2-4-12(7-11)8-14(9-15,10-16)13-5-6-13/h2-4,7,13,16H,5-6,8-10,15H2,1H3
InChIKeyUKTNWNPONDRPRH-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.88
Rot. Bonds5

About 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol

2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol (PubChem CID 106506492) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
PubChem CID106506492
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CN)(CO)C2CC2)c1
InChIInChI=1S/C14H21NO/c1-11-3-2-4-12(7-11)8-14(9-15,10-16)13-5-6-13/h2-4,7,13,16H,5-6,8-10,15H2,1H3
InChIKeyUKTNWNPONDRPRH-UHFFFAOYSA-N
XLogP1.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol
CID 106506646
2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 106506324
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107309951
2-[(3-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450470
3-[1-bromo-2-(bromomethyl)-3-(3-methylphenyl)propan-2-yl]thiolane 1,1-dioxide
CID 79453869
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
CID 106507357
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119574242

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol (CID 106506492) is 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CC(CN)(CO)C2CC2)c1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol?
The InChIKey is UKTNWNPONDRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-2-4-12(7-11)8-14(9-15,10-16)13-5-6-13/h2-4,7,13,16H,5-6,8-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol?
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 106506492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).