4-chloro-N-(5-methylheptan-3-yl)aniline

C14H22ClN — CID 43109712

IUPAC4-chloro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-4-11(3)10-13(5-2)16-14-8-6-12(15)7-9-14/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyCITHGNWPRPEPNQ-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.97
Rot. Bonds6

About 4-chloro-N-(5-methylheptan-3-yl)aniline

4-chloro-N-(5-methylheptan-3-yl)aniline (PubChem CID 43109712) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 4-chloro-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name4-chloro-N-(5-methylheptan-3-yl)aniline
PubChem CID43109712
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name4-chloro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-4-11(3)10-13(5-2)16-14-8-6-12(15)7-9-14/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyCITHGNWPRPEPNQ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868
4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43684561
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
2-fluoro-1-N-methyl-4-N-(5-methylheptan-3-yl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679336
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
CID 43095586
1-N'-(4-chlorophenyl)propane-1,1-diamine
CID 70466572
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964
methyl 2-[4-(5-methylheptan-3-ylamino)phenoxy]acetate
CID 43676827

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 4-chloro-N-(5-methylheptan-3-yl)aniline (CID 43109712) is 4-chloro-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 4-chloro-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 4-chloro-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-methylheptan-3-yl)aniline?
The InChIKey is CITHGNWPRPEPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-11(3)10-13(5-2)16-14-8-6-12(15)7-9-14/h6-9,11,13,16H,4-5,10H2,1-3H3.
What are the key properties of 4-chloro-N-(5-methylheptan-3-yl)aniline?
4-chloro-N-(5-methylheptan-3-yl)aniline has a molecular weight of 239.79 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 43109712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).