N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

C17H28N2 — CID 103748214

IUPACN-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCC(C)Cc1ccc(CNCC2CCCN2C)cc1
InChIInChI=1S/C17H28N2/c1-14(2)11-15-6-8-16(9-7-15)12-18-13-17-5-4-10-19(17)3/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyRGRWDRQGZITFGG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 103748214) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID103748214
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCC(C)Cc1ccc(CNCC2CCCN2C)cc1
InChIInChI=1S/C17H28N2/c1-14(2)11-15-6-8-16(9-7-15)12-18-13-17-5-4-10-19(17)3/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyRGRWDRQGZITFGG-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 103748214) is N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is CC(C)Cc1ccc(CNCC2CCCN2C)cc1.
What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is RGRWDRQGZITFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)11-15-6-8-16(9-7-15)12-18-13-17-5-4-10-19(17)3/h6-9,14,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 103748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).