N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine

C19H21Cl2N — CID 87185294

IUPACN-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC(Cl)(CCl)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H21Cl2N/c1-18(2,3)22-19(21,12-20)17-10-6-9-15-14-8-5-4-7-13(14)11-16(15)17/h4-10,22H,11-12H2,1-3H3
InChIKeyFHGRVVATQVQMAD-UHFFFAOYSA-N
MW334.29 g/mol
LogP5.28
Rot. Bonds3

About N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine

N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 87185294) has the molecular formula C19H21Cl2N and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
PubChem CID87185294
Molecular FormulaC19H21Cl2N
Molecular Weight334.29 g/mol
Exact Mass333.11
IUPAC NameN-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC(Cl)(CCl)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H21Cl2N/c1-18(2,3)22-19(21,12-20)17-10-6-9-15-14-8-5-4-7-13(14)11-16(15)17/h4-10,22H,11-12H2,1-3H3
InChIKeyFHGRVVATQVQMAD-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1,3-ditert-butyl-9H-fluorene
CID 175163483
N-ethyl-9H-fluoren-1-amine
CID 67613408
N-[9H-fluoren-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium;dihydrochloride
CID 173026390
CID 123562270
CID 123562270
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol
CID 157354326
1-(1,1,2,2-tetraphenylethyl)-9H-fluorene
CID 151581060
1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 139709795
1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine
CID 151812419

Frequently Asked Questions

What is the IUPAC name of N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine (CID 87185294) is N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NC(Cl)(CCl)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is FHGRVVATQVQMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N/c1-18(2,3)22-19(21,12-20)17-10-6-9-15-14-8-5-4-7-13(14)11-16(15)17/h4-10,22H,11-12H2,1-3H3.
What are the key properties of N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine?
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 334.29 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 87185294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).