(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride

C17H21ClN2 — CID 171233257

IUPAC(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@H](N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H20N2.ClH/c18-9-3-6-17(19)13-7-8-16-14(11-13)10-12-4-1-2-5-15(12)16;/h1-2,4-5,7-8,11,17H,3,6,9-10,18-19H2;1H/t17-;/m0./s1
InChIKeyDTYGHAQRRJEULY-LMOVPXPDSA-N
MW288.82 g/mol
LogP3.42
Rot. Bonds4

About (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride

(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride (PubChem CID 171233257) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride
PubChem CID171233257
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@H](N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H20N2.ClH/c18-9-3-6-17(19)13-7-8-16-14(11-13)10-12-4-1-2-5-15(12)16;/h1-2,4-5,7-8,11,17H,3,6,9-10,18-19H2;1H/t17-;/m0./s1
InChIKeyDTYGHAQRRJEULY-LMOVPXPDSA-N
XLogP3.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(9H-fluoren-2-yl)butan-1-amine
CID 171233264
(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171233279
(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
CID 171233295
(1S)-1-(9H-fluoren-2-yl)-3,3-difluoropropan-1-amine
CID 171313299
(1R)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropan-1-amine
CID 171213653
1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
CID 64634231
(2S)-2-amino-2-(9H-fluoren-3-yl)ethanol
CID 66515165
2-amino-1-(9H-fluoren-2-yl)ethanol
CID 14023206
9H-fluorene;hexane-1,6-diamine
CID 19108206
(R)-cyclopropyl(9H-fluoren-2-yl)methanamine;hydrochloride
CID 171213662
2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
CID 64653976
3-amino-1-(9H-fluoren-2-yl)propane-1,2-diol
CID 170829007

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride (CID 171233257) is (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@H](N)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride?
The InChIKey is DTYGHAQRRJEULY-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H20N2.ClH/c18-9-3-6-17(19)13-7-8-16-14(11-13)10-12-4-1-2-5-15(12)16;/h1-2,4-5,7-8,11,17H,3,6,9-10,18-19H2;1H/t17-;/m0./s1.
What are the key properties of (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride?
(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).