1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine

C16H24N2O — CID 120909131

IUPAC1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(OCC3CC3)cc2)CC1N
InChIInChI=1S/C16H24N2O/c1-12-8-18(10-16(12)17)9-13-4-6-15(7-5-13)19-11-14-2-3-14/h4-7,12,14,16H,2-3,8-11,17H2,1H3
InChIKeyCIFLEKOPAKVNDI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds5

About 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909131) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909131
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(OCC3CC3)cc2)CC1N
InChIInChI=1S/C16H24N2O/c1-12-8-18(10-16(12)17)9-13-4-6-15(7-5-13)19-11-14-2-3-14/h4-7,12,14,16H,2-3,8-11,17H2,1H3
InChIKeyCIFLEKOPAKVNDI-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909762
4-methyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 120909570
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930778
(3S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045551
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine (CID 120909131) is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccc(OCC3CC3)cc2)CC1N.
What is the InChIKey of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is CIFLEKOPAKVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-8-18(10-16(12)17)9-13-4-6-15(7-5-13)19-11-14-2-3-14/h4-7,12,14,16H,2-3,8-11,17H2,1H3.
What are the key properties of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).