N-(cyclopentylmethyl)-2-methoxy-5-methylaniline

C14H21NO — CID 61344463

IUPACN-(cyclopentylmethyl)-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCC1CCCC1
InChIInChI=1S/C14H21NO/c1-11-7-8-14(16-2)13(9-11)15-10-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKeyBNUQEHLIEOBZPK-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.61
Rot. Bonds4

About N-(cyclopentylmethyl)-2-methoxy-5-methylaniline

N-(cyclopentylmethyl)-2-methoxy-5-methylaniline (PubChem CID 61344463) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-methoxy-5-methylaniline
PubChem CID61344463
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(cyclopentylmethyl)-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCC1CCCC1
InChIInChI=1S/C14H21NO/c1-11-7-8-14(16-2)13(9-11)15-10-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKeyBNUQEHLIEOBZPK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
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N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline
CID 153334069
2-(cyclohexylmethylamino)-4-methylbenzonitrile
CID 62308973
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methoxy-5-methylaniline
CID 79223316
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-methoxy-5-methylaniline?
The IUPAC name of N-(cyclopentylmethyl)-2-methoxy-5-methylaniline (CID 61344463) is N-(cyclopentylmethyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-2-methoxy-5-methylaniline?
The canonical SMILES for N-(cyclopentylmethyl)-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-methoxy-5-methylaniline?
The InChIKey is BNUQEHLIEOBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-8-14(16-2)13(9-11)15-10-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-methoxy-5-methylaniline?
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 61344463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).