N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline

C17H29NO — CID 63450885

IUPACN-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
SMILESCCCCCC(C)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-6-7-8-9-15(5)18-17-11-10-16(12-14(17)4)19-13(2)3/h10-13,15,18H,6-9H2,1-5H3
InChIKeyLBQXVMKKRISIBY-UHFFFAOYSA-N
MW263.43 g/mol
LogP5.16
Rot. Bonds8

About N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline

N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline (PubChem CID 63450885) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
PubChem CID63450885
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
SMILESCCCCCC(C)Nc1ccc(OC(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-6-7-8-9-15(5)18-17-11-10-16(12-14(17)4)19-13(2)3/h10-13,15,18H,6-9H2,1-5H3
InChIKeyLBQXVMKKRISIBY-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
CID 63451459
N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63451236
3-methyl-4-(nonan-2-ylamino)benzoic acid
CID 43736082
2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
4-(difluoromethoxy)-N-heptan-2-ylaniline
CID 43099613
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
methyl 4-methyl-3-(octan-2-ylamino)benzoate
CID 43680521
N-hexan-2-yl-2-methyl-4-nitroaniline
CID 43785860

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline?
The IUPAC name of N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline (CID 63450885) is N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline is CCCCCC(C)Nc1ccc(OC(C)C)cc1C.
What is the InChIKey of N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline?
The InChIKey is LBQXVMKKRISIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-7-8-9-15(5)18-17-11-10-16(12-14(17)4)19-13(2)3/h10-13,15,18H,6-9H2,1-5H3.
What are the key properties of N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline?
N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline has a molecular weight of 263.43 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 63450885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).