N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H26N2 — CID 106602398

IUPACN,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)C(c1ccccc1)N(C)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-13(2)16(14-8-5-4-6-9-14)18(3)12-15-10-7-11-17-15/h4-6,8-9,13,15-17H,7,10-12H2,1-3H3
InChIKeyLSYIAQSDDSWWKJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds5

About N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106602398) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106602398
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)C(c1ccccc1)N(C)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-13(2)16(14-8-5-4-6-9-14)18(3)12-15-10-7-11-17-15/h4-6,8-9,13,15-17H,7,10-12H2,1-3H3
InChIKeyLSYIAQSDDSWWKJ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
cumene;pyrrolidin-2-ylmethanol
CID 142237933
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106609453
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
2-methoxy-N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607603
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106602398) is N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)C(c1ccccc1)N(C)CC1CCCN1.
What is the InChIKey of N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is LSYIAQSDDSWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16(14-8-5-4-6-9-14)18(3)12-15-10-7-11-17-15/h4-6,8-9,13,15-17H,7,10-12H2,1-3H3.
What are the key properties of N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106602398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).