2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol

C14H21NO — CID 81411044

IUPAC2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CC1c1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,10-16)9-15-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3
InChIKeyMZEOZKIRKMDPOY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds5

About 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol

2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol (PubChem CID 81411044) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
PubChem CID81411044
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CC1c1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,10-16)9-15-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3
InChIKeyMZEOZKIRKMDPOY-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
CID 103244657
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77063981
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62340040
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol (CID 81411044) is 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol is CC(C)(CO)CNC1CC1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol?
The InChIKey is MZEOZKIRKMDPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,10-16)9-15-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol?
2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol is sourced from PubChem (CID 81411044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).