N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine

C18H30N2O — CID 62418135

IUPACN-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
SMILESCC(C)NCc1cccc(OCCN(C)C2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-15(2)19-14-16-7-6-10-18(13-16)21-12-11-20(3)17-8-4-5-9-17/h6-7,10,13,15,17,19H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyJHIUZXNHTLIFPW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds8

About N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine

N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine (PubChem CID 62418135) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
PubChem CID62418135
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
SMILESCC(C)NCc1cccc(OCCN(C)C2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-15(2)19-14-16-7-6-10-18(13-16)21-12-11-20(3)17-8-4-5-9-17/h6-7,10,13,15,17,19H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyJHIUZXNHTLIFPW-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463806
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
CID 119113268
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674
N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740645
N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine
CID 62420931
N-[2-[3-[(cyclopropylamino)methyl]phenoxy]ethyl]-N-methylthiolan-3-amine
CID 62421119
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
CID 119875630

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine (CID 62418135) is N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine is CC(C)NCc1cccc(OCCN(C)C2CCCC2)c1.
What is the InChIKey of N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine?
The InChIKey is JHIUZXNHTLIFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)19-14-16-7-6-10-18(13-16)21-12-11-20(3)17-8-4-5-9-17/h6-7,10,13,15,17,19H,4-5,8-9,11-12,14H2,1-3H3.
What are the key properties of N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine?
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine is sourced from PubChem (CID 62418135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).