1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine

C14H21FN2 — CID 115006256

IUPAC1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
SMILESCC(N)CC1CN(C(C)C)c2ccc(F)cc21
InChIInChI=1S/C14H21FN2/c1-9(2)17-8-11(6-10(3)16)13-7-12(15)4-5-14(13)17/h4-5,7,9-11H,6,8,16H2,1-3H3
InChIKeyLMQBCQCYVZOFEC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine

1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine (PubChem CID 115006256) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
PubChem CID115006256
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
SMILESCC(N)CC1CN(C(C)C)c2ccc(F)cc21
InChIInChI=1S/C14H21FN2/c1-9(2)17-8-11(6-10(3)16)13-7-12(15)4-5-14(13)17/h4-5,7,9-11H,6,8,16H2,1-3H3
InChIKeyLMQBCQCYVZOFEC-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
1-(1-methyl-5-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 82277241
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117202263
1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 117201707
6-methyl-1-propan-2-yl-2,3-dihydroindol-3-amine
CID 83753003
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115095185
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 169244252

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine (CID 115006256) is 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine is CC(N)CC1CN(C(C)C)c2ccc(F)cc21.
What is the InChIKey of 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine?
The InChIKey is LMQBCQCYVZOFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-9(2)17-8-11(6-10(3)16)13-7-12(15)4-5-14(13)17/h4-5,7,9-11H,6,8,16H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine?
1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine is sourced from PubChem (CID 115006256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).