N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

C16H24N2 — CID 103739294

IUPACN-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN1CCCC1CNCc1ccccc1C1CC1
InChIInChI=1S/C16H24N2/c1-18-10-4-6-15(18)12-17-11-14-5-2-3-7-16(14)13-8-9-13/h2-3,5,7,13,15,17H,4,6,8-12H2,1H3
InChIKeyRKWRWJMXIAORBL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.75
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 103739294) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID103739294
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN1CCCC1CNCc1ccccc1C1CC1
InChIInChI=1S/C16H24N2/c1-18-10-4-6-15(18)12-17-11-14-5-2-3-7-16(14)13-8-9-13/h2-3,5,7,13,15,17H,4,6,8-12H2,1H3
InChIKeyRKWRWJMXIAORBL-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
1-(1-methylpyrrolidin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 106024044
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
N-[(2-bromo-3-nitrophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025353
5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113229747
1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 103739294) is N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is CN1CCCC1CNCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is RKWRWJMXIAORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-10-4-6-15(18)12-17-11-14-5-2-3-7-16(14)13-8-9-13/h2-3,5,7,13,15,17H,4,6,8-12H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 103739294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).