2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine

C18H30N2 — CID 105346400

IUPAC2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC1CCCN1Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-15-6-5-13-20(15)14-17-9-7-16(8-10-17)11-12-19-18(2,3)4/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyCJRBVRXXNWIZKM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds5

About 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 105346400) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID105346400
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC1CCCN1Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-15-6-5-13-20(15)14-17-9-7-16(8-10-17)11-12-19-18(2,3)4/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyCJRBVRXXNWIZKM-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346515
N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768697
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
(2R)-2-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
CID 99773652
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 105346400) is 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC1CCCN1Cc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is CJRBVRXXNWIZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-6-5-13-20(15)14-17-9-7-16(8-10-17)11-12-19-18(2,3)4/h7-10,15,19H,5-6,11-14H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105346400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).