1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol

C18H29NO — CID 65122847

IUPAC1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCc1ccc(C(C)NCC2(O)CCCCCC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-14-8-9-17(15(2)12-14)16(3)19-13-18(20)10-6-4-5-7-11-18/h8-9,12,16,19-20H,4-7,10-11,13H2,1-3H3
InChIKeyYRBIYGXJDWZXAO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds4

About 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 65122847) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID65122847
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCc1ccc(C(C)NCC2(O)CCCCCC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-14-8-9-17(15(2)12-14)16(3)19-13-18(20)10-6-4-5-7-11-18/h8-9,12,16,19-20H,4-7,10-11,13H2,1-3H3
InChIKeyYRBIYGXJDWZXAO-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 111121649
1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 114114845
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol (CID 65122847) is 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol is Cc1ccc(C(C)NCC2(O)CCCCCC2)c(C)c1.
What is the InChIKey of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is YRBIYGXJDWZXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-8-9-17(15(2)12-14)16(3)19-13-18(20)10-6-4-5-7-11-18/h8-9,12,16,19-20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).