4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine

C14H18ClFN2 — CID 66077466

IUPAC4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1N(CC1CC1)CC1CC1
InChIInChI=1S/C14H18ClFN2/c15-11-5-13(17)14(6-12(11)16)18(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8,17H2
InChIKeyCCYWHDYRNRBMEG-UHFFFAOYSA-N
MW268.76 g/mol
LogP3.69
Rot. Bonds5

About 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine

4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine (PubChem CID 66077466) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine
PubChem CID66077466
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1N(CC1CC1)CC1CC1
InChIInChI=1S/C14H18ClFN2/c15-11-5-13(17)14(6-12(11)16)18(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8,17H2
InChIKeyCCYWHDYRNRBMEG-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 66079554
2-chloro-4-N,4-N-bis(cyclopropylmethyl)-5-methylbenzene-1,4-diamine
CID 115554998
3-[(2-amino-4-chloro-5-fluoro-N-methylanilino)methyl]cyclobutan-1-ol
CID 66077872
4-chloro-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 66077630
2-[4-chloro-N-(cyclopropylmethyl)-5-fluoro-2-nitroanilino]acetic acid
CID 66078529
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine
CID 63593831
1-N-butan-2-yl-4-chloro-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 66078180
5-chloro-2-(cyclopentylmethylsulfanyl)-4-fluoroaniline
CID 66076568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine (CID 66077466) is 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine is Nc1cc(Cl)c(F)cc1N(CC1CC1)CC1CC1.
What is the InChIKey of 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is CCYWHDYRNRBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c15-11-5-13(17)14(6-12(11)16)18(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8,17H2.
What are the key properties of 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine?
4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 268.76 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66077466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).