[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol

C16H25NO — CID 115243454

IUPAC[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCc1cc(C)c(C)c(CNCC2(CO)CC2)c1C
InChIInChI=1S/C16H25NO/c1-11-7-12(2)14(4)15(13(11)3)8-17-9-16(10-18)5-6-16/h7,17-18H,5-6,8-10H2,1-4H3
InChIKeyCYQWEELRBBEDMT-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.78
Rot. Bonds5

About [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243454) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID115243454
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCc1cc(C)c(C)c(CNCC2(CO)CC2)c1C
InChIInChI=1S/C16H25NO/c1-11-7-12(2)14(4)15(13(11)3)8-17-9-16(10-18)5-6-16/h7,17-18H,5-6,8-10H2,1-4H3
InChIKeyCYQWEELRBBEDMT-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256643
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol
CID 115246701
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111778122
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182238
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243464
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol (CID 115243454) is [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol is Cc1cc(C)c(C)c(CNCC2(CO)CC2)c1C.
What is the InChIKey of [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is CYQWEELRBBEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-12(2)14(4)15(13(11)3)8-17-9-16(10-18)5-6-16/h7,17-18H,5-6,8-10H2,1-4H3.
What are the key properties of [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).