N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine

C19H21F2N — CID 23967601

IUPACN-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
SMILESFc1ccc(F)c(CN(CCc2ccccc2)CC2CC2)c1
InChIInChI=1S/C19H21F2N/c20-18-8-9-19(21)17(12-18)14-22(13-16-6-7-16)11-10-15-4-2-1-3-5-15/h1-5,8-9,12,16H,6-7,10-11,13-14H2
InChIKeyIEMOEYFQLVUZFQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP4.42
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine

N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine (PubChem CID 23967601) has the molecular formula C19H21F2N and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
PubChem CID23967601
Molecular FormulaC19H21F2N
Molecular Weight301.38 g/mol
Exact Mass301.16
IUPAC NameN-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
SMILESFc1ccc(F)c(CN(CCc2ccccc2)CC2CC2)c1
InChIInChI=1S/C19H21F2N/c20-18-8-9-19(21)17(12-18)14-22(13-16-6-7-16)11-10-15-4-2-1-3-5-15/h1-5,8-9,12,16H,6-7,10-11,13-14H2
InChIKeyIEMOEYFQLVUZFQ-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine
CID 23965353
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 126835331
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
CID 78820869
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine
CID 142725284
N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine
CID 58923743
N'-benzyl-N'-[(2-bromo-5-fluorophenyl)methyl]propane-1,3-diamine
CID 107366867

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine (CID 23967601) is N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine is Fc1ccc(F)c(CN(CCc2ccccc2)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine?
The InChIKey is IEMOEYFQLVUZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N/c20-18-8-9-19(21)17(12-18)14-22(13-16-6-7-16)11-10-15-4-2-1-3-5-15/h1-5,8-9,12,16H,6-7,10-11,13-14H2.
What are the key properties of N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine?
N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine has a molecular weight of 301.38 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 23967601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).