N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H25BrN2 — CID 106603813

IUPACN-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCN1)C(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-3-11-19(12-14-7-6-10-18-14)13(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3
InChIKeyXKNIMPZMEPWJKF-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106603813) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106603813
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCN1)C(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-3-11-19(12-14-7-6-10-18-14)13(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3
InChIKeyXKNIMPZMEPWJKF-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604748
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106603813) is N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCN1)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is XKNIMPZMEPWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-11-19(12-14-7-6-10-18-14)13(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106603813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).