N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

C13H19FN2 — CID 65383338

IUPACN-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCC1CC1
InChIInChI=1S/C13H19FN2/c1-9-6-11(14)4-5-12(9)13(7-15)16-8-10-2-3-10/h4-6,10,13,16H,2-3,7-8,15H2,1H3
InChIKeyITJPCIUZCSZXRN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.13
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 65383338) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID65383338
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCC1CC1
InChIInChI=1S/C13H19FN2/c1-9-6-11(14)4-5-12(9)13(7-15)16-8-10-2-3-10/h4-6,10,13,16H,2-3,7-8,15H2,1H3
InChIKeyITJPCIUZCSZXRN-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 115406339
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277
N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 114075612
1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (CID 65383338) is N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is ITJPCIUZCSZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-6-11(14)4-5-12(9)13(7-15)16-8-10-2-3-10/h4-6,10,13,16H,2-3,7-8,15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).