N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline

C21H27NO — CID 39446655

IUPACN-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cccc(OC3CCCC3)c2)c(C)c1
InChIInChI=1S/C21H27NO/c1-15-11-16(2)21(17(3)12-15)22-14-18-7-6-10-20(13-18)23-19-8-4-5-9-19/h6-7,10-13,19,22H,4-5,8-9,14H2,1-3H3
InChIKeyRLAHPEYMDBJBJV-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.55
Rot. Bonds5

About N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline

N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 39446655) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
PubChem CID39446655
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cccc(OC3CCCC3)c2)c(C)c1
InChIInChI=1S/C21H27NO/c1-15-11-16(2)21(17(3)12-15)22-14-18-7-6-10-20(13-18)23-19-8-4-5-9-19/h6-7,10-13,19,22H,4-5,8-9,14H2,1-3H3
InChIKeyRLAHPEYMDBJBJV-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
(3-ethylphenoxy)cyclooctane
CID 91220327
2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
(3-methylphenoxy)cyclononane
CID 145391482
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline (CID 39446655) is N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2cccc(OC3CCCC3)c2)c(C)c1.
What is the InChIKey of N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is RLAHPEYMDBJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-15-11-16(2)21(17(3)12-15)22-14-18-7-6-10-20(13-18)23-19-8-4-5-9-19/h6-7,10-13,19,22H,4-5,8-9,14H2,1-3H3.
What are the key properties of N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline?
N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 309.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 39446655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).