N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine

C16H25NO — CID 79860027

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOCc1ccccc1CNC1CCCC1(C)C
InChIInChI=1S/C16H25NO/c1-16(2)10-6-9-15(16)17-11-13-7-4-5-8-14(13)12-18-3/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyRVXGJRBBYSHNCV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine

N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860027) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79860027
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOCc1ccccc1CNC1CCCC1(C)C
InChIInChI=1S/C16H25NO/c1-16(2)10-6-9-15(16)17-11-13-7-4-5-8-14(13)12-18-3/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyRVXGJRBBYSHNCV-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 79828961
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861979
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861534
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79860027) is N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine is COCc1ccccc1CNC1CCCC1(C)C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is RVXGJRBBYSHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)10-6-9-15(16)17-11-13-7-4-5-8-14(13)12-18-3/h4-5,7-8,15,17H,6,9-12H2,1-3H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).