N-(5-methylheptan-3-yl)-4-phenylaniline

C20H27N — CID 43716868

IUPACN-(5-methylheptan-3-yl)-4-phenylaniline
SMILESCCC(C)CC(CC)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-16(3)15-19(5-2)21-20-13-11-18(12-14-20)17-9-7-6-8-10-17/h6-14,16,19,21H,4-5,15H2,1-3H3
InChIKeyORGQFHHQEPDEIJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.98
Rot. Bonds7

About N-(5-methylheptan-3-yl)-4-phenylaniline

N-(5-methylheptan-3-yl)-4-phenylaniline (PubChem CID 43716868) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-4-phenylaniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-4-phenylaniline
PubChem CID43716868
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-(5-methylheptan-3-yl)-4-phenylaniline
SMILESCCC(C)CC(CC)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-16(3)15-19(5-2)21-20-13-11-18(12-14-20)17-9-7-6-8-10-17/h6-14,16,19,21H,4-5,15H2,1-3H3
InChIKeyORGQFHHQEPDEIJ-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704826
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
[3-methyl-1-(4-phenylphenyl)pentyl]hydrazine
CID 105310511
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145
N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43684561
1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
CID 54962781
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-4-phenylaniline?
The IUPAC name of N-(5-methylheptan-3-yl)-4-phenylaniline (CID 43716868) is N-(5-methylheptan-3-yl)-4-phenylaniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-4-phenylaniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-4-phenylaniline is CCC(C)CC(CC)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-methylheptan-3-yl)-4-phenylaniline?
The InChIKey is ORGQFHHQEPDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-16(3)15-19(5-2)21-20-13-11-18(12-14-20)17-9-7-6-8-10-17/h6-14,16,19,21H,4-5,15H2,1-3H3.
What are the key properties of N-(5-methylheptan-3-yl)-4-phenylaniline?
N-(5-methylheptan-3-yl)-4-phenylaniline has a molecular weight of 281.44 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-4-phenylaniline is sourced from PubChem (CID 43716868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).