N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine

C16H25FN2 — CID 62643649

IUPACN'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1cccc(F)c1)CC1CC1
InChIInChI=1S/C16H25FN2/c1-2-9-19(12-13-6-7-13)10-8-16(18)14-4-3-5-15(17)11-14/h3-5,11,13,16H,2,6-10,12,18H2,1H3
InChIKeyNIKMZPNGKFFASK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds8

About N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine

N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine (PubChem CID 62643649) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
PubChem CID62643649
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1cccc(F)c1)CC1CC1
InChIInChI=1S/C16H25FN2/c1-2-9-19(12-13-6-7-13)10-8-16(18)14-4-3-5-15(17)11-14/h3-5,11,13,16H,2,6-10,12,18H2,1H3
InChIKeyNIKMZPNGKFFASK-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
1-(3-fluorophenyl)-N'-methyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 55099061
N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 79310287
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine (CID 62643649) is N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine is CCCN(CCC(N)c1cccc(F)c1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine?
The InChIKey is NIKMZPNGKFFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-9-19(12-13-6-7-13)10-8-16(18)14-4-3-5-15(17)11-14/h3-5,11,13,16H,2,6-10,12,18H2,1H3.
What are the key properties of N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62643649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).