4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline

C18H24N2 — CID 6990315

IUPAC4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
SMILESCC[C@@H](c1ccc(N)cc1)[C@@H](CC)c1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18H,3-4,19-20H2,1-2H3/t17-,18-/m0/s1
InChIKeyYORVBACNZYWHKD-ROUUACIJSA-N
MW268.40 g/mol
LogP4.54
Rot. Bonds5

About 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline

4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline (PubChem CID 6990315) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline.

Molecular Properties

Compound Name4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
PubChem CID6990315
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
SMILESCC[C@@H](c1ccc(N)cc1)[C@@H](CC)c1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18H,3-4,19-20H2,1-2H3/t17-,18-/m0/s1
InChIKeyYORVBACNZYWHKD-ROUUACIJSA-N
XLogP4.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]phenyl]pentan-2-yl]phenyl]ethyl]aniline
CID 139903287
CID 177385381
CID 177385381
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
benzene-1,4-diamine;butane
CID 67434753
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]propyl]phenyl]pentyl]aniline
CID 22919318
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
ethyl (2S)-2-(4-aminophenyl)-2-bromoacetate
CID 97296459
4-[1-(methylamino)pentan-3-yl]aniline
CID 142395580

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline?
The IUPAC name of 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline (CID 6990315) is 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline.
What is the SMILES notation for 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline?
The canonical SMILES for 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline is CC[C@@H](c1ccc(N)cc1)[C@@H](CC)c1ccc(N)cc1.
What is the InChIKey of 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline?
The InChIKey is YORVBACNZYWHKD-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18H,3-4,19-20H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline?
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline has a molecular weight of 268.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline is sourced from PubChem (CID 6990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).