1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine

C23H23ClN2 — CID 70388802

IUPAC1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCN(C)c1ccc(Nc2ccc3c(c2)-c2cc(Cl)ccc2C3)cc1
InChIInChI=1S/C23H23ClN2/c1-3-12-26(2)21-10-8-19(9-11-21)25-20-7-5-17-13-16-4-6-18(24)14-22(16)23(17)15-20/h4-11,14-15,25H,3,12-13H2,1-2H3
InChIKeyHWMBWHVTQUYWNT-UHFFFAOYSA-N
MW362.90 g/mol
LogP6.50
Rot. Bonds5

About 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine

1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine (PubChem CID 70388802) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine
PubChem CID70388802
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCN(C)c1ccc(Nc2ccc3c(c2)-c2cc(Cl)ccc2C3)cc1
InChIInChI=1S/C23H23ClN2/c1-3-12-26(2)21-10-8-19(9-11-21)25-20-7-5-17-13-16-4-6-18(24)14-22(16)23(17)15-20/h4-11,14-15,25H,3,12-13H2,1-2H3
InChIKeyHWMBWHVTQUYWNT-UHFFFAOYSA-N
XLogP6.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 70359726
3'-chloro-6'-[4-[methyl(propyl)amino]anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14496104
4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 70359800
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
CID 123537340
ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 142294472
N,4-dimethyl-N-propylaniline
CID 14671247
4-fluoro-N-methyl-N-propylaniline
CID 23197529
2-chloro-6-N-ethenyl-9-N-ethyl-7-methylidene-9-N-propyl-5,6-dihydrobenzo[7]annulene-6,9-diamine
CID 142252122
6-chloro-3-N,3-N-diethyl-1-N-[3-(trifluoromethyl)phenyl]-9H-fluorene-1,3-diamine
CID 67801785
3-N-(2-chloroethyl)-3-N-ethyl-6-N,6-N-dimethyl-9H-fluorene-3,6-diamine
CID 154479134
N-[4-[butyl(methyl)amino]phenyl]-3-chlorobenzenesulfonamide
CID 112985397
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine (CID 70388802) is 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine is CCCN(C)c1ccc(Nc2ccc3c(c2)-c2cc(Cl)ccc2C3)cc1.
What is the InChIKey of 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine?
The InChIKey is HWMBWHVTQUYWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2/c1-3-12-26(2)21-10-8-19(9-11-21)25-20-7-5-17-13-16-4-6-18(24)14-22(16)23(17)15-20/h4-11,14-15,25H,3,12-13H2,1-2H3.
What are the key properties of 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine?
1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine has a molecular weight of 362.90 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloro-9H-fluoren-3-yl)-4-N-methyl-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 70388802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).