1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol

C14H21NO — CID 117313196

IUPAC1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol
SMILESCCN(CC)c1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C14H21NO/c1-3-15(4-2)13-7-5-12(6-8-13)11-14(16)9-10-14/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeySXNCJWCPTJXLME-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds5

About 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol

1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117313196) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol
PubChem CID117313196
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol
SMILESCCN(CC)c1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C14H21NO/c1-3-15(4-2)13-7-5-12(6-8-13)11-14(16)9-10-14/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeySXNCJWCPTJXLME-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339086
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]cyclopropan-1-ol
CID 117313193
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol
CID 117294984
N,N-diethyl-4-[[(1-methylcyclopropyl)methylamino]methyl]aniline
CID 103724362
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344
4-(1-aminocyclopropyl)-N,N-diethylaniline
CID 82609357
(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
CID 94776154
1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol
CID 117117535
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol (CID 117313196) is 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol is CCN(CC)c1ccc(CC2(O)CC2)cc1.
What is the InChIKey of 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is SXNCJWCPTJXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15(4-2)13-7-5-12(6-8-13)11-14(16)9-10-14/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117313196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).