3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine

C17H29N3 — CID 62888334

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(N)CCN1CCCC1CN(C)C
InChIInChI=1S/C17H29N3/c1-14-7-4-5-9-16(14)17(18)10-12-20-11-6-8-15(20)13-19(2)3/h4-5,7,9,15,17H,6,8,10-13,18H2,1-3H3
InChIKeyMSXHVXWBIBRSSZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.41
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine (PubChem CID 62888334) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
PubChem CID62888334
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(N)CCN1CCCC1CN(C)C
InChIInChI=1S/C17H29N3/c1-14-7-4-5-9-16(14)17(18)10-12-20-11-6-8-15(20)13-19(2)3/h4-5,7,9,15,17H,6,8,10-13,18H2,1-3H3
InChIKeyMSXHVXWBIBRSSZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
CID 62629452
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
CID 79304051
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052930
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanamine
CID 62886119
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine (CID 62888334) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(N)CCN1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine?
The InChIKey is MSXHVXWBIBRSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-7-4-5-9-16(14)17(18)10-12-20-11-6-8-15(20)13-19(2)3/h4-5,7,9,15,17H,6,8,10-13,18H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 62888334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).