4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine

C19H24N2 — CID 57373865

IUPAC4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
SMILESCC(N)CCN1Cc2ccccc2Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-15(20)10-11-21-13-18-8-4-2-6-16(18)12-17-7-3-5-9-19(17)14-21/h2-9,15H,10-14,20H2,1H3
InChIKeyJEUYTFISHFSVFQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.33
Rot. Bonds3

About 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine

4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine (PubChem CID 57373865) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine.

Molecular Properties

Compound Name4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
PubChem CID57373865
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
SMILESCC(N)CCN1Cc2ccccc2Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-15(20)10-11-21-13-18-8-4-2-6-16(18)12-17-7-3-5-9-19(17)14-21/h2-9,15H,10-14,20H2,1H3
InChIKeyJEUYTFISHFSVFQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-amino-4-(1,3-dihydroisoindol-2-yl)butanamide
CID 63054697
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
4-(1,3-dihydroisoindol-2-yl)butan-1-amine
CID 62205174
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
CID 120564700
1-(5-aminohexyl)-3H-indol-2-one
CID 114993593
9,10-dihydroanthracene;methanamine
CID 123513741

Frequently Asked Questions

What is the IUPAC name of 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine?
The IUPAC name of 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine (CID 57373865) is 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine.
What is the SMILES notation for 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine?
The canonical SMILES for 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine is CC(N)CCN1Cc2ccccc2Cc2ccccc2C1.
What is the InChIKey of 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine?
The InChIKey is JEUYTFISHFSVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15(20)10-11-21-13-18-8-4-2-6-16(18)12-17-7-3-5-9-19(17)14-21/h2-9,15H,10-14,20H2,1H3.
What are the key properties of 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine?
4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine is sourced from PubChem (CID 57373865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).